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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50125027'   
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))		BDBM50125027
PNG
(((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-b...)
Show SMILES CCOC(=O)C[C@H]1N(CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)C1=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H35N7O7S2/c1-2-40-22(35)15-20-25(37)32(12-13-33(20)42(38,39)17-18-7-4-3-5-8-18)16-21(34)31-19(9-6-10-30-26(27)28)23(36)24-29-11-14-41-24/h3-5,7-8,11,14,19-20H,2,6,9-10,12-13,15-17H2,1H3,(H,31,34)(H4,27,28,30)/t19-,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against serine protease thrombin

Bioorg Med Chem Lett 13: 729-32 (2003)


BindingDB Entry DOI: 10.7270/Q2T72GTS
More data for this
Ligand-Target Pair