BDBM50060021 3-[3-(4-Cyclohexanecarbonyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL317271

SMILES: NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1

InChI Key: InChIKey=ZPXYCOTYQCAIOD-UHFFFAOYSA-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 = 50060021   

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
Trypsin II (Bos taurus)	BDBM50060021 (3-[3-(4-Cyclohexanecarbonyl-piperazin-1-yl)-2-(nap...) Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1 Show InChI InChI=1S/C31H37N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h4-8,11-14,19,21,24,28,34H,1-3,9-10,15-18,20H2,(H3,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50060021 (3-[3-(4-Cyclohexanecarbonyl-piperazin-1-yl)-2-(nap...) Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1 Show InChI InChI=1S/C31H37N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h4-8,11-14,19,21,24,28,34H,1-3,9-10,15-18,20H2,(H3,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against plasmin				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50060021 (3-[3-(4-Cyclohexanecarbonyl-piperazin-1-yl)-2-(nap...) Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1 Show InChI InChI=1S/C31H37N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h4-8,11-14,19,21,24,28,34H,1-3,9-10,15-18,20H2,(H3,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50060021 (3-[3-(4-Cyclohexanecarbonyl-piperazin-1-yl)-2-(nap...) Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1 Show InChI InChI=1S/C31H37N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h4-8,11-14,19,21,24,28,34H,1-3,9-10,15-18,20H2,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against coagulation factor X.				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair