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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50080928'   
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))		BDBM50080928
PNG
(2-((R)-2-Benzyl-3,6-dioxo-4-phenethyl-piperazin-1-...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C33H39N7O4S/c34-33(35)39-15-7-12-25(20-39)18-26(30(43)31-36-14-17-45-31)37-28(41)21-40-27(19-24-10-5-2-6-11-24)32(44)38(22-29(40)42)16-13-23-8-3-1-4-9-23/h1-6,8-11,14,17,25-27H,7,12-13,15-16,18-22H2,(H3,34,35)(H,37,41)/t25?,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 990n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against thrombin was determined

Bioorg Med Chem Lett 9: 2503-8 (1999)


BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair