BDBM50080508 3-[(S)-2-Oxo-3-(4-phenoxy-benzenesulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine::CHEMBL119249

SMILES: NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2=O)c1

InChI Key: InChIKey=WXZIYNDDAWDJNV-QFIPXVFZSA-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 = 50080508   

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))	BDBM50080508 (3-[(S)-2-Oxo-3-(4-phenoxy-benzenesulfonylamino)-py...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2=O)c1 Show InChI InChI=1S/C24H24N4O4S/c25-23(26)18-6-4-5-17(15-18)16-28-14-13-22(24(28)29)27-33(30,31)21-11-9-20(10-12-21)32-19-7-2-1-3-8-19/h1-12,15,22,27H,13-14,16H2,(H3,25,26)/t22-/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	380	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
Trypsin II (Bos taurus)	BDBM50080508 (3-[(S)-2-Oxo-3-(4-phenoxy-benzenesulfonylamino)-py...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2=O)c1 Show InChI InChI=1S/C24H24N4O4S/c25-23(26)18-6-4-5-17(15-18)16-28-14-13-22(24(28)29)27-33(30,31)21-11-9-20(10-12-21)32-19-7-2-1-3-8-19/h1-12,15,22,27H,13-14,16H2,(H3,25,26)/t22-/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
Prothrombin (Homo sapiens (Human))	BDBM50080508 (3-[(S)-2-Oxo-3-(4-phenoxy-benzenesulfonylamino)-py...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2=O)c1 Show InChI InChI=1S/C24H24N4O4S/c25-23(26)18-6-4-5-17(15-18)16-28-14-13-22(24(28)29)27-33(30,31)21-11-9-20(10-12-21)32-19-7-2-1-3-8-19/h1-12,15,22,27H,13-14,16H2,(H3,25,26)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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