BDBM50080487 3-[(S)-3-(6-Chloro-naphthalene-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine::CHEMBL331686

SMILES: NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c1

InChI Key: InChIKey=RMTMXOQMCOBFOY-FQEVSTJZSA-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 = 50080487   

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))	BDBM50080487 (3-[(S)-3-(6-Chloro-naphthalene-2-sulfonylamino)-2-...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c1 Show InChI InChI=1S/C22H21ClN4O3S/c23-18-6-4-16-12-19(7-5-15(16)11-18)31(29,30)26-20-8-9-27(22(20)28)13-14-2-1-3-17(10-14)21(24)25/h1-7,10-12,20,26H,8-9,13H2,(H3,24,25)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Coagulation factor Xa				J Med Chem 42: 3557-71 (1999) Article DOI: 10.1021/jm990040h BindingDB Entry DOI: 10.7270/Q2M04640
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080487 (3-[(S)-3-(6-Chloro-naphthalene-2-sulfonylamino)-2-...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c1 Show InChI InChI=1S/C22H21ClN4O3S/c23-18-6-4-16-12-19(7-5-15(16)11-18)31(29,30)26-20-8-9-27(22(20)28)13-14-2-1-3-17(10-14)21(24)25/h1-7,10-12,20,26H,8-9,13H2,(H3,24,25)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Med Chem 42: 3557-71 (1999) Article DOI: 10.1021/jm990040h BindingDB Entry DOI: 10.7270/Q2M04640
					More data for this Ligand-Target Pair
Trypsin II (Bos taurus)	BDBM50080487 (3-[(S)-3-(6-Chloro-naphthalene-2-sulfonylamino)-2-...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c1 Show InChI InChI=1S/C22H21ClN4O3S/c23-18-6-4-16-12-19(7-5-15(16)11-18)31(29,30)26-20-8-9-27(22(20)28)13-14-2-1-3-17(10-14)21(24)25/h1-7,10-12,20,26H,8-9,13H2,(H3,24,25)/t20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic trypsin				J Med Chem 42: 3557-71 (1999) Article DOI: 10.1021/jm990040h BindingDB Entry DOI: 10.7270/Q2M04640
					More data for this Ligand-Target Pair