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Gene Set: D4 : Boss - nchembio732-comp5

Collection D4 : Boss
Chemical Name nchembio732-comp5 ( From PubChem : CIMETIDINE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
252.339 g/mol 3 6 1.37918 True
Structure
InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKey AQIXAKUUQRKLND-UHFFFAOYSA-N
Links

Gene (31 / 37)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningAPEX1
BOSSText MiningCASP3
BOSSText MiningCDT1
BOSSText MiningCPM
BOSSText MiningCST3
BOSSText MiningCYGB
BOSSText MiningCYP2B6
BOSSText MiningCYP2C8
BOSSText MiningFLT3LG
BOSSText MiningHK1
BOSSText MiningHLP
BOSSText MiningHRH2
BOSSText MiningIL10
BOSSText MiningIL4
BOSSText MiningIL6
BOSSText MiningLGMN
BOSSText MiningMPO
BOSSText MiningNBEAL2
BOSSText MiningPLXNA2
BOSSText MiningRYR1
BOSSText MiningSLC22A1
BOSSText MiningSLC22A2
BOSSText MiningSLC22A3
BOSSText MiningSLC25A20
BOSSText MiningSLC47A1
BOSSText MiningTNF
PubChem PotencyuM31.623CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM28.184POLK-GI(Protien) :
ChEMBLInhibition-CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM31622.800CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM31622.800CYP2C19
-Target : CHEMBL3622
ChEMBLInhibition-CYP2D6
-Target : CHEMBL289
ChEMBLInhibition-CYP3A4
-Target : CHEMBL340
ChEMBLInhibition-CYP3A4
-Target : CHEMBL340
ChEMBLInhibition-SLC22A2
-Target : CHEMBL1743122
ChEMBLInhibition-SLC22A2
-Target : CHEMBL1743122
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