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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50106063'   
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
Prothrombin


(Homo sapiens (Human))		BDBM50106063
PNG
(3-Carbamimidoyl-N-[(S)-cyclohexyl-(2'-sulfamoyl-bi...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C1CCCCC1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H31N5O4S/c29-26(30)20-9-6-10-21(17-20)27(34)33-25(19-7-2-1-3-8-19)28(35)32-22-15-13-18(14-16-22)23-11-4-5-12-24(23)38(31,36)37/h4-6,9-17,19,25H,1-3,7-8H2,(H3,29,30)(H,32,35)(H,33,34)(H2,31,36,37)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.

Bioorg Med Chem Lett 11: 2947-50 (2001)


BindingDB Entry DOI: 10.7270/Q27H1HW6
More data for this
Ligand-Target Pair