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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50106054'   
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))		BDBM50106054
PNG
(3-Amino-benzo[d]isoxazole-5-carboxylic acid [(R)-p...)
Show SMILES Nc1noc2ccc(cc12)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C28H23N5O5S/c29-26-22-16-19(12-15-23(22)38-33-26)27(34)32-25(18-6-2-1-3-7-18)28(35)31-20-13-10-17(11-14-20)21-8-4-5-9-24(21)39(30,36)37/h1-16,25H,(H2,29,33)(H,31,35)(H,32,34)(H2,30,36,37)/t25-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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