BDBM50078948 (1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-naphthalen-2-yl-butyl}-phosphinic acid::CHEMBL88187

SMILES: NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=BVNHOVTUHKATJL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50078948   

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
Matrix metalloproteinase 11 (Mus musculus)	BDBM50078948 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50078948 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50078948 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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-9 (Homo sapiens (Human))	BDBM50078948 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50078948 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50078948 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	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-7 Matrilysin				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