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Drug SIGnatures DataBase Collection of Annoated Drug / Compound Gene Sets

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Gene Set: D4 : Boss - a-methopterin

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Collection	D4 : Boss
Chemical Name	a-methopterin ( From PubChem : METHOTREXATE )
FDA NPC WHO Indian Australia China Traditional Herbal Clinical Trail Approved Not Approved Approved Approved Approved Not Not
Molecular Weight Hydrogen Bond Donor Count Hydrogen Bond Acceptor Count cLogP Lipinski Rule 454.439 g/mol 5 13 1.8217 False(3/4)
Structure
InChI	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
InChIKey	FBOZXECLQNJBKD-ZDUSSCGKSA-N
Links
Gene (182 / 200) ⊖ Less	Source Type Unit Value Gene PMID Assay Other BOSS Text Mining ABCA1 BOSS Text Mining ABCC2 BOSS Text Mining ABCC3 BOSS Text Mining ABCC4 BOSS Text Mining ABCG2 BOSS Text Mining ACE BOSS Text Mining ACR BOSS Text Mining ADA BOSS Text Mining AK5 BOSS Text Mining AKR1B1 BOSS Text Mining ALB BOSS Text Mining AOX1 BOSS Text Mining ASRGL1 BOSS Text Mining ATIC BOSS Text Mining ATP1B1 BOSS Text Mining ATP8A2 BOSS Text Mining AURKB BOSS Text Mining BCL2 BOSS Text Mining BCL6 BOSS Text Mining BRD2 BOSS Text Mining BTF3P11 BOSS Text Mining BTG3 BOSS Text Mining C7orf49 BOSS Text Mining CASP3 BOSS Text Mining CASP9 BOSS Text Mining CBL BOSS Text Mining CBX8 BOSS Text Mining CD19 BOSS Text Mining CD28 BOSS Text Mining CD34 BOSS Text Mining CD4 BOSS Text Mining CD40LG BOSS Text Mining CD68 BOSS Text Mining CD8A BOSS Text Mining CDH2 BOSS Text Mining CDT1 BOSS Text Mining CEBPZ BOSS Text Mining CGB5 BOSS Text Mining COX8C BOSS Text Mining CR1 BOSS Text Mining CREBZF BOSS Text Mining CSF2 BOSS Text Mining CSF3 BOSS Text Mining CSH1 BOSS Text Mining CYGB BOSS Text Mining CYLD BOSS Text Mining CYP2C8 BOSS Text Mining DDR2 BOSS Text Mining DECR1 BOSS Text Mining DHFR BOSS Text Mining DNMT1 BOSS Text Mining EFS BOSS Text Mining EGF BOSS Text Mining EGFR BOSS Text Mining ERBB2 BOSS Text Mining ERBB2 BOSS Text Mining ERCC1 BOSS Text Mining EREG BOSS Text Mining ESR1 BOSS Text Mining ETFB BOSS Text Mining F3 BOSS Text Mining FAM109A BOSS Text Mining FLT1 BOSS Text Mining FOXP3 BOSS Text Mining FPGS BOSS Text Mining FUBP1 BOSS Text Mining FUT4 BOSS Text Mining GGH BOSS Text Mining GPR182 BOSS Text Mining GPX1 BOSS Text Mining HBB BOSS Text Mining HK1 BOSS Text Mining HPD BOSS Text Mining HSD17B1 BOSS Text Mining ICOS BOSS Text Mining IFNA1 BOSS Text Mining IFNA17 BOSS Text Mining IFNB1 BOSS Text Mining IFNG BOSS Text Mining IGFBP1 BOSS Text Mining IGHV3-16 BOSS Text Mining IGLL2P BOSS Text Mining IGLL3P BOSS Text Mining IL10 BOSS Text Mining IL18 BOSS Text Mining IL1B BOSS Text Mining IL2 BOSS Text Mining IL27 BOSS Text Mining IL2RA BOSS Text Mining IL36G BOSS Text Mining IL4 BOSS Text Mining IL6 BOSS Text Mining IL6R BOSS Text Mining INS BOSS Text Mining ISYNA1 BOSS Text Mining ITPA BOSS Text Mining KIT BOSS Text Mining LDHA BOSS Text Mining MMP3 BOSS Text Mining MMP9 BOSS Text Mining MPO BOSS Text Mining MTHFD1 BOSS Text Mining MTHFR BOSS Text Mining MTR BOSS Text Mining MTRR BOSS Text Mining MTX1 BOSS Text Mining MYC BOSS Text Mining NCAM1 BOSS Text Mining NELFCD BOSS Text Mining NFKBIL1 BOSS Text Mining NR4A1 BOSS Text Mining NSG1 BOSS Text Mining NUP214 BOSS Text Mining OCLN BOSS Text Mining OPTN BOSS Text Mining PALLD BOSS Text Mining PGR BOSS Text Mining PITX1 BOSS Text Mining PLXNA3 BOSS Text Mining POLD4 BOSS Text Mining POMC BOSS Text Mining PR@ BOSS Text Mining PRDX2 BOSS Text Mining PRF1 BOSS Text Mining PRMT1 BOSS Text Mining PRSS2 BOSS Text Mining RAPH1 BOSS Text Mining RHO BOSS Text Mining ROS1 BOSS Text Mining RTEL1 BOSS Text Mining SAA1 BOSS Text Mining SERPINA1 BOSS Text Mining SHMT2 BOSS Text Mining SLC17A5 BOSS Text Mining SLC19A1 BOSS Text Mining SLC22A8 BOSS Text Mining SLC25A16 BOSS Text Mining SLC7A1 BOSS Text Mining SLCO1A2 BOSS Text Mining SMUG1 BOSS Text Mining SOD1 BOSS Text Mining SYF2 BOSS Text Mining TBXAS1 BOSS Text Mining TJP1 BOSS Text Mining TLR4 BOSS Text Mining TNF BOSS Text Mining TNFRSF8 BOSS Text Mining TNFSF11 BOSS Text Mining TOP2A BOSS Text Mining TP53 BOSS Text Mining TRAPPC9 BOSS Text Mining TSC1 BOSS Text Mining TYMS BOSS Text Mining USO1 BOSS Text Mining VEGFA BOSS Text Mining VIM BOSS Text Mining WLS PubChem Potency uM 7.519 EHMT2 - GI(Protien) : PubChem Potency uM 7.943 EHMT2 - GI(Protien) : PubChem Potency uM 0.005 IDH1 - GI(Protien) : PubChem None uM KLK7 - GI(Protien) : PubChem None uM MDM2 - GI(Protien) : PubChem None uM MDM4 - GI(Protien) : PubChem Potency uM 79.433 MPHOSPH8 - GI(Protien) : PubChem None uM NCOA1 - GI(Protien) : PubChem IC50 uM 0.211 NCOA3 - GI(Protien) : PubChem None uM NCOA3 - GI(Protien) : PubChem Potency-Replicate_1 uM 0.010 NFE2L2 - GI(Protien) : PubChem Potency-Replicate_1 uM 0.060 NFE2L2 - GI(Protien) : PubChem Potency uM 0.154 NFE2L2 - GI(Protien) : PubChem Potency uM 0.581 NFE2L2 - GI(Protien) : PubChem Potency uM 1.458 NFE2L2 - GI(Protien) : PubChem Potency-Replicate_1 uM 0.376 NR1H4 - GI(Protien) : PubChem None uM NR5A1 - GI(Protien) : PubChem None uM NR5A2 - GI(Protien) : PubChem Potency uM 39.811 POLB - GI(Protien) : PubChem Potency uM 31.623 POLH - GI(Protien) : PubChem Potency uM 31.623 POLI - GI(Protien) : PubChem Potency uM 0.447 PPARG - GI(Protien) : PubChem Potency uM 0.010 TDP1 - GI(Protien) : PubChem Potency uM 0.011 TDP1 - GI(Protien) : PubChem Potency uM 0.021 TDP1 - GI(Protien) : PubChem Potency uM 0.041 TDP1 - GI(Protien) : PubChem Potency uM 0.126 TDP1 - GI(Protien) : PubChem None uM TNFRSF10B - GI(Protien) : PubChem Potency uM 39.811 VDR - GI(Protien) : ChEMBL Potency nM 19952.600 APEX1 - Target : CHEMBL5619 ChEMBL Inhibition - CYP1A2 - Target : CHEMBL3356 ChEMBL Inhibition - CYP2C19 - Target : CHEMBL3622 ChEMBL Inhibition - CYP2C9 - Target : CHEMBL3397 ChEMBL Inhibition - CYP2D6 - Target : CHEMBL289 ChEMBL Inhibition - CYP3A4 - Target : CHEMBL340 ChEMBL Inhibition - CYP3A4 - Target : CHEMBL340 ChEMBL Potency nM 7943.300 EHMT2 - Target : CHEMBL6032 ChEMBL Potency nM 7519.300 EHMT2 - Target : CHEMBL6032 ChEMBL Potency nM 31622.800 HSD17B10 - Target : CHEMBL4159 ChEMBL Potency nM 79432.800 MPHOSPH8 - Target : CHEMBL1741210 ChEMBL Potency nM 580.500 NFE2L2 - Target : CHEMBL1075094 ChEMBL Potency nM 1458.100 NFE2L2 - Target : CHEMBL1075094 ChEMBL Potency nM 39810.700 POLB - Target : CHEMBL2392
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