BDBM50325341 (R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide::CHEMBL1223421

SMILES: CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C1CCCCC1

InChI Key: InChIKey=KSDVJZGHORKLKZ-JOCHJYFZSA-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 = 50325341   

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))	BDBM50325341 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H28F3N5O4/c1-31-25(38)22(17-7-3-2-4-8-17)35-24(37)21-11-10-20(39-21)18-9-5-6-16(14-18)15-33-23(36)19-12-13-32-26(34-19)27(28,29)30/h5-6,9-14,17,22H,2-4,7-8,15H2,1H3,(H,31,38)(H,33,36)(H,35,37)/t22-/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	7	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