BDBM50325337 (S)-N-(3-(5-(3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-ylcarbamoyl)furan-2-yl)benzyl)-6-(trifluoromethyl)picolinamide::CHEMBL1223491

SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C(C)(C)O

InChI Key: InChIKey=ZWZXMJHBQVILJV-HXUWFJFHSA-N

Data: 1 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 1 hit for monomerid = 50325337   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50325337 ((S)-N-(3-(5-(3-hydroxy-3-methyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C(C)(C)O |r| Show InChI InChI=1S/C25H25F3N4O5/c1-24(2,36)20(23(35)29-3)32-22(34)18-11-10-17(37-18)15-7-4-6-14(12-15)13-30-21(33)16-8-5-9-19(31-16)25(26,27)28/h4-12,20,36H,13H2,1-3H3,(H,29,35)(H,30,33)(H,32,34)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair