BDBM50057050 (2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-ylcarbamoyl)-propylcarbamoyl]-6-(4'-fluoro-biphenyl-4-yl)-hexanoic acid::CHEMBL267533

SMILES: CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O

InChI Key: InChIKey=ZDFWMZOVILGQKY-HRHHFINDSA-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 = 50057050   

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))	BDBM50057050 ((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C34H42FN3O4/c1-5-6-7-27(33(41)42)22-26(13-10-23-8-11-24(12-9-23)25-14-16-28(35)17-15-25)31(39)38-30(34(2,3)4)32(40)37-29-18-20-36-21-19-29/h8-9,11-12,14-21,26-27,30H,5-7,10,13,22H2,1-4H3,(H,38,39)(H,41,42)(H,36,37,40)/t26-,27+,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	2	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))	BDBM50057050 ((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C34H42FN3O4/c1-5-6-7-27(33(41)42)22-26(13-10-23-8-11-24(12-9-23)25-14-16-28(35)17-15-25)31(39)38-30(34(2,3)4)32(40)37-29-18-20-36-21-19-29/h8-9,11-12,14-21,26-27,30H,5-7,10,13,22H2,1-4H3,(H,38,39)(H,41,42)(H,36,37,40)/t26-,27+,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	Article PubMed	25	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