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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50126695'   
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))		BDBM50126695
PNG
(CHEMBL24713 | Pyridin-4-yl-{2-[3-(toluene-4-sulfon...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCN(C(=O)OC(C)(C)C)c2ccncc2)c1
Show InChI InChI=1S/C25H29N3O5S/c1-19-8-10-23(11-9-19)34(30,31)27-20-6-5-7-22(18-20)32-17-16-28(21-12-14-26-15-13-21)24(29)33-25(2,3)4/h5-15,18,27H,16-17H2,1-4H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.00E+4n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.

J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair