BDBM50057077 (2S,4R)-2-Butyl-6-(4'-carbamoyl-biphenyl-4-yl)-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-hexanoic acid::CHEMBL8847

SMILES: CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(N)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O

InChI Key: InChIKey=LGJQFTJRPHIEEF-UODIDJSMSA-N

Data: 2 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 2 hits for monomerid = 50057077   

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))	BDBM50057077 ((2S,4R)-2-Butyl-6-(4'-carbamoyl-biphenyl-4-yl)-4-(...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(N)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H43N3O5/c1-6-7-8-25(30(38)39)19-24(28(36)34-26(29(37)33-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)27(32)35/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H2,32,35)(H,33,37)(H,34,36)(H,38,39)/t24-,25+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50057077 ((2S,4R)-2-Butyl-6-(4'-carbamoyl-biphenyl-4-yl)-4-(...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(N)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H43N3O5/c1-6-7-8-25(30(38)39)19-24(28(36)34-26(29(37)33-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)27(32)35/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H2,32,35)(H,33,37)(H,34,36)(H,38,39)/t24-,25+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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