BDBM50097269 (R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylcarbamoyl)-propyl]-N*4*-hydroxy-2-[3-(2-trifluoromethyl-biphenyl-4-yl)-propyl]-succinamide::CHEMBL345305

SMILES: C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C)c1ccccc1

InChI Key: InChIKey=MDHGHVZOCBQJRL-BCAKYAHRSA-N

Data: 3 IC50

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 3 hits for monomerid = 50097269   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50097269 ((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...) Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C34H40F3N3O4/c1-22(24-13-7-5-8-14-24)38-32(43)30(33(2,3)4)39-31(42)26(21-29(41)40-44)17-11-12-23-18-19-27(25-15-9-6-10-16-25)28(20-23)34(35,36)37/h5-10,13-16,18-20,22,26,30,44H,11-12,17,21H2,1-4H3,(H,38,43)(H,39,42)(H,40,41)/t22-,26-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50097269 ((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...) Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C34H40F3N3O4/c1-22(24-13-7-5-8-14-24)38-32(43)30(33(2,3)4)39-31(42)26(21-29(41)40-44)17-11-12-23-18-19-27(25-15-9-6-10-16-25)28(20-23)34(35,36)37/h5-10,13-16,18-20,22,26,30,44H,11-12,17,21H2,1-4H3,(H,38,43)(H,39,42)(H,40,41)/t22-,26-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	776	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50097269 ((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...) Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C34H40F3N3O4/c1-22(24-13-7-5-8-14-24)38-32(43)30(33(2,3)4)39-31(42)26(21-29(41)40-44)17-11-12-23-18-19-27(25-15-9-6-10-16-25)28(20-23)34(35,36)37/h5-10,13-16,18-20,22,26,30,44H,11-12,17,21H2,1-4H3,(H,38,43)(H,39,42)(H,40,41)/t22-,26-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	770	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