BDBM50078947 (1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-3-(4-methoxy-benzylsulfanyl)-propyl]-phosphinic acid::CHEMBL277792

SMILES: COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1

InChI Key: InChIKey=KKRBZYCHOUTMBU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50078947   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50078947 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...) Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1 Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
Stromelysin-3 (Mus musculus)	BDBM50078947 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...) Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1 Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-11.				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50078947 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...) Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1 Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-9 (gelatinase-B).				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50078947 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...) Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1 Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-2 (gelatinase-A).				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50078947 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...) Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1 Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-14 MTI-MMP.				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair