BDBM50328893 2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimidin-4-yl)propylamino)acetamide::CHEMBL1270268

SMILES: NC(=O)CNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=CMOAHEOOGDVZEW-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50328893   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50328893 (2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...) Show SMILES NC(=O)CNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H16F3N5O/c18-17(19,20)12-4-1-3-11(7-12)14-8-13(24-16(9-21)25-14)5-2-6-23-10-15(22)26/h1,3-4,7-8,23H,2,5-6,10H2,(H2,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6237-41 (2010) Article DOI: 10.1016/j.bmcl.2010.08.101 BindingDB Entry DOI: 10.7270/Q2RR1ZFT
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50328893 (2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...) Show SMILES NC(=O)CNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H16F3N5O/c18-17(19,20)12-4-1-3-11(7-12)14-8-13(24-16(9-21)25-14)5-2-6-23-10-15(22)26/h1,3-4,7-8,23H,2,5-6,10H2,(H2,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K using Z-Phe-Arg-MCA substrate by fluorimetric assay				Bioorg Med Chem Lett 20: 6237-41 (2010) Article DOI: 10.1016/j.bmcl.2010.08.101 BindingDB Entry DOI: 10.7270/Q2RR1ZFT
					More data for this Ligand-Target Pair				3D Structure (docked)