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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50131777'   
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))		BDBM50131777
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-furan-3-ylmet...)
Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1coc(c1)C(N)=N
Show InChI InChI=1S/C28H31N5O5/c1-37-28(36)32-24(23(19-9-4-2-5-10-19)20-11-6-3-7-12-20)27(35)33-14-8-13-21(33)26(34)31-16-18-15-22(25(29)30)38-17-18/h2-7,9-12,15,17,21,23-24H,8,13-14,16H2,1H3,(H3,29,30)(H,31,34)(H,32,36)/t21-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.40n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin

J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair