null

SMILES: COc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1

InChI Key: InChIKey=PCGCWQHPTVXXQZ-JZTDYHMVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50097266   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50097266 ((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...) Show SMILES COc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1 Show InChI InChI=1S/C34H43N3O5/c1-23(25-14-8-6-9-15-25)35-33(40)31(34(2,3)4)36-32(39)27(22-30(38)37-41)18-12-13-24-19-20-28(29(21-24)42-5)26-16-10-7-11-17-26/h6-11,14-17,19-21,23,27,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t23-,27-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.				Bioorg Med Chem Lett 11: 571-4 (2001) BindingDB Entry DOI: 10.7270/Q22B8X9X
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50097266 ((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...) Show SMILES COc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1 Show InChI InChI=1S/C34H43N3O5/c1-23(25-14-8-6-9-15-25)35-33(40)31(34(2,3)4)36-32(39)27(22-30(38)37-41)18-12-13-24-19-20-28(29(21-24)42-5)26-16-10-7-11-17-26/h6-11,14-17,19-21,23,27,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t23-,27-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50097266 ((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...) Show SMILES COc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1 Show InChI InChI=1S/C34H43N3O5/c1-23(25-14-8-6-9-15-25)35-33(40)31(34(2,3)4)36-32(39)27(22-30(38)37-41)18-12-13-24-19-20-28(29(21-24)42-5)26-16-10-7-11-17-26/h6-11,14-17,19-21,23,27,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t23-,27-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.				Bioorg Med Chem Lett 11: 571-4 (2001) BindingDB Entry DOI: 10.7270/Q22B8X9X
					More data for this Ligand-Target Pair