BDBM50080501 3-{(S)-3-[Benzyl-(7-methoxy-naphthalene-2-sulfonyl)-amino]-2-oxo-pyrrolidin-1-ylmethyl}-benzamidine::CHEMBL340336

SMILES: COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O

InChI Key: InChIKey=NUQFHKRIDTWCJR-NDEPHWFRSA-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 = 50080501   

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))	BDBM50080501 (3-{(S)-3-[Benzyl-(7-methoxy-naphthalene-2-sulfonyl...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O Show InChI InChI=1S/C30H30N4O4S/c1-38-26-12-10-23-11-13-27(18-25(23)17-26)39(36,37)34(20-21-6-3-2-4-7-21)28-14-15-33(30(28)35)19-22-8-5-9-24(16-22)29(31)32/h2-13,16-18,28H,14-15,19-20H2,1H3,(H3,31,32)/t28-/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	41	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))	BDBM50080501 (3-{(S)-3-[Benzyl-(7-methoxy-naphthalene-2-sulfonyl...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O Show InChI InChI=1S/C30H30N4O4S/c1-38-26-12-10-23-11-13-27(18-25(23)17-26)39(36,37)34(20-21-6-3-2-4-7-21)28-14-15-33(30(28)35)19-22-8-5-9-24(16-22)29(31)32/h2-13,16-18,28H,14-15,19-20H2,1H3,(H3,31,32)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	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)	BDBM50080501 (3-{(S)-3-[Benzyl-(7-methoxy-naphthalene-2-sulfonyl...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O Show InChI InChI=1S/C30H30N4O4S/c1-38-26-12-10-23-11-13-27(18-25(23)17-26)39(36,37)34(20-21-6-3-2-4-7-21)28-14-15-33(30(28)35)19-22-8-5-9-24(16-22)29(31)32/h2-13,16-18,28H,14-15,19-20H2,1H3,(H3,31,32)/t28-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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