BDBM50126682 CHEMBL286529::Thiophene-2-sulfonic acid 3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl ester

SMILES: Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=UYPODJSKAAJGNR-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126682   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50126682 (CHEMBL286529 | Thiophene-2-sulfonic acid 3-methyl-...) Show SMILES Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C18H18N2O4S2/c1-14-11-16(23-9-8-20-15-4-6-19-7-5-15)13-17(12-14)24-26(21,22)18-3-2-10-25-18/h2-7,10-13H,8-9H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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