BDBM50060044 3-[3-[4-(Butane-1-sulfonyl)-piperazin-1-yl]-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL322404

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

InChI Key: InChIKey=RBHKBLFNBDRIPC-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 = 50060044   

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)	BDBM50060044 (3-[3-[4-(Butane-1-sulfonyl)-piperazin-1-yl]-2-(nap...) Show SMILES CCCCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H35N5O5S2/c1-2-3-17-39(35,36)33-15-13-32(14-16-33)28(34)26(19-21-7-6-10-24(18-21)27(29)30)31-40(37,38)25-12-11-22-8-4-5-9-23(22)20-25/h4-12,18,20,26,31H,2-3,13-17,19H2,1H3,(H3,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	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
Thrombin (Bos taurus (Bovine))	BDBM50060044 (3-[3-[4-(Butane-1-sulfonyl)-piperazin-1-yl]-2-(nap...) Show SMILES CCCCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H35N5O5S2/c1-2-3-17-39(35,36)33-15-13-32(14-16-33)28(34)26(19-21-7-6-10-24(18-21)27(29)30)31-40(37,38)25-12-11-22-8-4-5-9-23(22)20-25/h4-12,18,20,26,31H,2-3,13-17,19H2,1H3,(H3,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	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
Plasminogen (Homo sapiens (Human))	BDBM50060044 (3-[3-[4-(Butane-1-sulfonyl)-piperazin-1-yl]-2-(nap...) Show SMILES CCCCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H35N5O5S2/c1-2-3-17-39(35,36)33-15-13-32(14-16-33)28(34)26(19-21-7-6-10-24(18-21)27(29)30)31-40(37,38)25-12-11-22-8-4-5-9-23(22)20-25/h4-12,18,20,26,31H,2-3,13-17,19H2,1H3,(H3,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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
Coagulation factor X (Bos taurus)	BDBM50060044 (3-[3-[4-(Butane-1-sulfonyl)-piperazin-1-yl]-2-(nap...) Show SMILES CCCCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H35N5O5S2/c1-2-3-17-39(35,36)33-15-13-32(14-16-33)28(34)26(19-21-7-6-10-24(18-21)27(29)30)31-40(37,38)25-12-11-22-8-4-5-9-23(22)20-25/h4-12,18,20,26,31H,2-3,13-17,19H2,1H3,(H3,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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