BDBM50123785 4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(5-oxy-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one::CHEMBL161432

SMILES: [O-][n+]1ccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc2c1

InChI Key: InChIKey=LATAMKXJDNPECS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50123785   

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))	BDBM50123785 (4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(5-oxy...) Show SMILES [O-][n+]1ccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc2c1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-15-2-1-13-8-20(30-18(13)9-15)31(28,29)25-6-5-23(19(26)12-25)11-16-7-14-10-24(27)4-3-17(14)22-16/h1-4,7-10,22H,5-6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity for human Coagulation factor X				J Med Chem 46: 681-4 (2003) Article DOI: 10.1021/jm020384z BindingDB Entry DOI: 10.7270/Q2KW5FDH
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50123785 (4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(5-oxy...) Show SMILES [O-][n+]1ccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc2c1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-15-2-1-13-8-20(30-18(13)9-15)31(28,29)25-6-5-23(19(26)12-25)11-16-7-14-10-24(27)4-3-17(14)22-16/h1-4,7-10,22H,5-6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards trypsin				J Med Chem 46: 681-4 (2003) Article DOI: 10.1021/jm020384z BindingDB Entry DOI: 10.7270/Q2KW5FDH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123785 (4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(5-oxy...) Show SMILES [O-][n+]1ccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc2c1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-15-2-1-13-8-20(30-18(13)9-15)31(28,29)25-6-5-23(19(26)12-25)11-16-7-14-10-24(27)4-3-17(14)22-16/h1-4,7-10,22H,5-6,11-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards thrombin				J Med Chem 46: 681-4 (2003) Article DOI: 10.1021/jm020384z BindingDB Entry DOI: 10.7270/Q2KW5FDH
					More data for this Ligand-Target Pair