BDBM50090599 (S)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-yl]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester::CHEMBL48437

SMILES: COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1

InChI Key: InChIKey=ANSKJRGBKVMOGK-INIZCTEOSA-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 = 50090599   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50090599 ((S)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl...) Show SMILES COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1 Show InChI InChI=1S/C21H22ClN5O6S2/c1-33-21(30)16(8-15-9-23-12-24-15)25-18(28)10-26-4-5-27(11-19(26)29)35(31,32)20-6-13-2-3-14(22)7-17(13)34-20/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3,(H,23,24)(H,25,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Coagulation factor X				Bioorg Med Chem Lett 10: 1737-9 (2000) BindingDB Entry DOI: 10.7270/Q23777Z2
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