BDBM50060041 3-[3-(4-Hexanoyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL326013

SMILES: CCCCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=CROIYCWSNRBUTI-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 = 50060041   

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)	BDBM50060041 (3-[3-(4-Hexanoyl-piperazin-1-yl)-2-(naphthalene-2-...) Show SMILES CCCCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-12-28(36)34-15-17-35(18-16-34)30(37)27(20-22-8-7-11-25(19-22)29(31)32)33-40(38,39)26-14-13-23-9-5-6-10-24(23)21-26/h5-11,13-14,19,21,27,33H,2-4,12,15-18,20H2,1H3,(H3,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	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))	BDBM50060041 (3-[3-(4-Hexanoyl-piperazin-1-yl)-2-(naphthalene-2-...) Show SMILES CCCCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-12-28(36)34-15-17-35(18-16-34)30(37)27(20-22-8-7-11-25(19-22)29(31)32)33-40(38,39)26-14-13-23-9-5-6-10-24(23)21-26/h5-11,13-14,19,21,27,33H,2-4,12,15-18,20H2,1H3,(H3,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	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))	BDBM50060041 (3-[3-(4-Hexanoyl-piperazin-1-yl)-2-(naphthalene-2-...) Show SMILES CCCCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-12-28(36)34-15-17-35(18-16-34)30(37)27(20-22-8-7-11-25(19-22)29(31)32)33-40(38,39)26-14-13-23-9-5-6-10-24(23)21-26/h5-11,13-14,19,21,27,33H,2-4,12,15-18,20H2,1H3,(H3,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	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)	BDBM50060041 (3-[3-(4-Hexanoyl-piperazin-1-yl)-2-(naphthalene-2-...) Show SMILES CCCCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-12-28(36)34-15-17-35(18-16-34)30(37)27(20-22-8-7-11-25(19-22)29(31)32)33-40(38,39)26-14-13-23-9-5-6-10-24(23)21-26/h5-11,13-14,19,21,27,33H,2-4,12,15-18,20H2,1H3,(H3,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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