BDBM50081001 7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrrolidin-3-yl]-amide::CHEMBL315218

SMILES: COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(N)c3c2)C1=O

InChI Key: InChIKey=FBXKQKLNWKCKSK-QHCPKHFHSA-N

Data: 4 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 4 hits for monomerid = 50081001   

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 (Bos taurus)	BDBM50081001 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(N)c3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3,(H2,26,27)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	180	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 In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50081001 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(N)c3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3,(H2,26,27)/t23-/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	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50081001 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(N)c3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3,(H2,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.35E+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 In vitro evaluation of inhibitory activity against Coagulation factor II in prothrombinase complex				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50081001 (7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc3ccnc(N)c3c2)C1=O Show InChI InChI=1S/C25H24N4O4S/c1-33-20-6-4-17-5-7-21(14-19(17)13-20)34(31,32)28-23-9-11-29(25(23)30)15-16-2-3-18-8-10-27-24(26)22(18)12-16/h2-8,10,12-14,23,28H,9,11,15H2,1H3,(H2,26,27)/t23-/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
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro evaluation of inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 2539-44 (1999) BindingDB Entry DOI: 10.7270/Q21R6R1B
					More data for this Ligand-Target Pair