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BDBM50130212 CHEMBL3632870

SMILES: Cl.[H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1cccc(F)c1)C2=O

InChI Key: InChIKey=ZKYXGGOBGFQKGN-IUVRKTCKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130212   
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
Prothrombin


(Homo sapiens (Human))		BDBM50130212
PNG
(CHEMBL3632870)
Show SMILES Cl.[H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1cccc(F)c1)C2=O |r|
Show InChI InChI=1S/C23H23FN4O2.ClH/c24-16-4-1-3-13(11-16)12-28-22(29)18-17-5-2-10-27(17)20(19(18)23(28)30)14-6-8-15(9-7-14)21(25)26;/h1,3-4,6-9,11,17-20H,2,5,10,12H2,(H3,25,26);1H/t17?,18-,19-,20-;/m0./s1
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Similars
PubMed
 360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using H-D-Phe-Pip-Arg-paranitroanilide/methylsulfonyl-D-Leu-Gly-Arg-paranitroanilide as substrate by spectrophotometric ...

J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair