BDBM50081518 3-[(S)-3-(2-Chloro-quinoline-6-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine::CHEMBL431461

SMILES: NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(Cl)ccc4c3)C2=O)c1

InChI Key: InChIKey=RSXHXPQRBXWJBY-SFHVURJKSA-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 = 50081518   

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))	BDBM50081518 (3-[(S)-3-(2-Chloro-quinoline-6-sulfonylamino)-2-ox...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(Cl)ccc4c3)C2=O)c1 Show InChI InChI=1S/C21H20ClN5O3S/c22-19-7-4-14-11-16(5-6-17(14)25-19)31(29,30)26-18-8-9-27(21(18)28)12-13-2-1-3-15(10-13)20(23)24/h1-7,10-11,18,26H,8-9,12H2,(H3,23,24)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity against serine protease factor Xa (fXa)				Bioorg Med Chem Lett 9: 2753-8 (1999) BindingDB Entry DOI: 10.7270/Q2W66K02
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50081518 (3-[(S)-3-(2-Chloro-quinoline-6-sulfonylamino)-2-ox...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(Cl)ccc4c3)C2=O)c1 Show InChI InChI=1S/C21H20ClN5O3S/c22-19-7-4-14-11-16(5-6-17(14)25-19)31(29,30)26-18-8-9-27(21(18)28)12-13-2-1-3-15(10-13)20(23)24/h1-7,10-11,18,26H,8-9,12H2,(H3,23,24)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity against trypsin				Bioorg Med Chem Lett 9: 2753-8 (1999) BindingDB Entry DOI: 10.7270/Q2W66K02
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50081518 (3-[(S)-3-(2-Chloro-quinoline-6-sulfonylamino)-2-ox...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(Cl)ccc4c3)C2=O)c1 Show InChI InChI=1S/C21H20ClN5O3S/c22-19-7-4-14-11-16(5-6-17(14)25-19)31(29,30)26-18-8-9-27(21(18)28)12-13-2-1-3-15(10-13)20(23)24/h1-7,10-11,18,26H,8-9,12H2,(H3,23,24)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2753-8 (1999) BindingDB Entry DOI: 10.7270/Q2W66K02
					More data for this Ligand-Target Pair