null

SMILES: CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O

InChI Key: InChIKey=NFMRFQNSUWXJSA-XPWALMASSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50057078   

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))	BDBM50057078 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C27H44N2O4/c1-7-9-11-22(26(32)33)18-21(17-16-20-14-12-19(10-8-2)13-15-20)24(30)29-23(25(31)28-6)27(3,4)5/h12-15,21-23H,7-11,16-18H2,1-6H3,(H,28,31)(H,29,30)(H,32,33)/t21-,22+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057078 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C27H44N2O4/c1-7-9-11-22(26(32)33)18-21(17-16-20-14-12-19(10-8-2)13-15-20)24(30)29-23(25(31)28-6)27(3,4)5/h12-15,21-23H,7-11,16-18H2,1-6H3,(H,28,31)(H,29,30)(H,32,33)/t21-,22+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair