BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50387086'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50387086
PNG
(CHEMBL2047191)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(F)[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Show InChI InChI=1S/C40H48F2N8O6/c1-21(2)29(45-39(53)55-5)37(51)49-19-7-9-27(49)35-43-31(33(41)47-35)25-15-11-23(12-16-25)24-13-17-26(18-14-24)32-34(42)48-36(44-32)28-10-8-20-50(28)38(52)30(22(3)4)46-40(54)56-6/h11-18,21-22,27-30H,7-10,19-20H2,1-6H3,(H,43,47)(H,44,48)(H,45,53)(H,46,54)/t27-,28-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

Bioorg Med Chem Lett 22: 4864-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.039
BindingDB Entry DOI: 10.7270/Q2CJ8FHP
More data for this
Ligand-Target Pair