BDBM50080492 5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-thiophene-3-carboxamidine::CHEMBL331939

SMILES: COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(cs2)C(N)=N)C1=O

InChI Key: InChIKey=AVFUAEDDAJCFDH-IBGZPJMESA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50080492   

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))	BDBM50080492 (5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(cs2)C(N)=N)C1=O Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-13-3-5-18(10-14(13)8-16)31(27,28)24-19-6-7-25(21(19)26)11-17-9-15(12-30-17)20(22)23/h2-5,8-10,12,19,24H,6-7,11H2,1H3,(H3,22,23)/t19-/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	83	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)	BDBM50080492 (5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(cs2)C(N)=N)C1=O Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-13-3-5-18(10-14(13)8-16)31(27,28)24-19-6-7-25(21(19)26)11-17-9-15(12-30-17)20(22)23/h2-5,8-10,12,19,24H,6-7,11H2,1H3,(H3,22,23)/t19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	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))	BDBM50080492 (5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(cs2)C(N)=N)C1=O Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-13-3-5-18(10-14(13)8-16)31(27,28)24-19-6-7-25(21(19)26)11-17-9-15(12-30-17)20(22)23/h2-5,8-10,12,19,24H,6-7,11H2,1H3,(H3,22,23)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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
Kallikrein 6 (Homo sapiens (Human))	BDBM50080492 (5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(cs2)C(N)=N)C1=O Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-13-3-5-18(10-14(13)8-16)31(27,28)24-19-6-7-25(21(19)26)11-17-9-15(12-30-17)20(22)23/h2-5,8-10,12,19,24H,6-7,11H2,1H3,(H3,22,23)/t19-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...				ACS Med Chem Lett 3: 159-164 (2012) Article DOI: 10.1021/ml200291e BindingDB Entry DOI: 10.7270/Q2FN177M
					More data for this Ligand-Target Pair