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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50125022'   
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))		BDBM50125022
PNG
(CHEMBL163166 | N-[(S)-4-Guanidino-1-(thiazole-2-ca...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CO)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H31N7O6S2/c24-23(25)27-8-4-7-17(20(33)21-26-9-12-37-21)28-19(32)13-29-10-11-30(18(14-31)22(29)34)38(35,36)15-16-5-2-1-3-6-16/h1-3,5-6,9,12,17-18,31H,4,7-8,10-11,13-15H2,(H,28,32)(H4,24,25,27)/t17-,18+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+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