BDBM50078953 (1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-6-phenyl-hexyl}-phosphinic acid::CHEMBL327641

SMILES: NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=DVBWYFQJLIUTJA-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 = 50078953   

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))	BDBM50078953 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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
Matrix metalloproteinase 11 (Mus musculus)	BDBM50078953 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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))	BDBM50078953 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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))	BDBM50078953 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	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 (MMP14) (Homo sapiens (Human))	BDBM50078953 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	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