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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50076948'   
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))		BDBM50076948
PNG
((R)-1-((3R,4R,4aR)-Decahydro-isoquinoline-1-carbon...)
Show SMILES O=C(N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]12
Show InChI InChI=1S/C31H45N5O4/c37-28(30(39)34-20-22-7-2-1-3-8-22)25(19-21-12-15-32-16-13-21)35-29(38)26-11-6-18-36(26)31(40)27-24-10-5-4-9-23(24)14-17-33-27/h1-3,7-8,21,23-27,32-33H,4-6,9-20H2,(H,34,39)(H,35,38)/t23-,24-,25+,26-,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 48n/an/an/an/an/an/a



Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin with respect to Argatroban

Bioorg Med Chem Lett 9: 1227-32 (1999)


BindingDB Entry DOI: 10.7270/Q2XW4K9J
More data for this
Ligand-Target Pair