BDBM50325339 (S)-N-(3-(5-(1-cyclopropyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-6-(trifluoromethyl)picolinamide::CHEMBL1223423

SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C1CC1

InChI Key: InChIKey=LNCWODREMUZEFC-NRFANRHFSA-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 = 50325339   

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))	BDBM50325339 ((S)-N-(3-(5-(1-cyclopropyl-2-(methylamino)-2-oxoet...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C1CC1 |r| Show InChI InChI=1S/C25H23F3N4O4/c1-29-24(35)21(15-8-9-15)32-23(34)19-11-10-18(36-19)16-5-2-4-14(12-16)13-30-22(33)17-6-3-7-20(31-17)25(26,27)28/h2-7,10-12,15,21H,8-9,13H2,1H3,(H,29,35)(H,30,33)(H,32,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	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