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BDBM50153888 CHEMBL3774998

SMILES: Cc1nc2cc(ccc2[nH]1)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(CO)n1)c1cccc(F)c1

InChI Key: InChIKey=YATSHHNNFWNWDU-IBGZPJMESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50153888   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor IX


(Homo sapiens (Human))		BDBM50153888
PNG
(CHEMBL3774998)
Show SMILES Cc1nc2cc(ccc2[nH]1)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(CO)n1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H21Cl2FN6O2/c1-14-32-22-6-5-16(8-23(22)33-14)19(15-3-2-4-17(29)7-15)11-30-26(37)25-20(27)9-18(10-21(25)28)35-13-31-24(12-36)34-35/h2-10,13,19,36H,11-12H2,1H3,(H,30,37)(H,32,33)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-DCHG-Gly-Arg-AFC.AcOH as substrate preinubated for 30 mins followed by substrate addition measured after 1...

J Med Chem 59: 1818-29 (2016)


BindingDB Entry DOI: 10.7270/Q29Z96S8
More data for this
Ligand-Target Pair