BDBM50164701 CHEMBL195717::N*4*-(3H-Benzoimidazol-5-yl)-N*2*-(3-chloro-phenyl)-N*2*-methyl-5-trifluoromethyl-pyrimidine-2,4-diamine

SMILES: CN(c1cccc(Cl)c1)c1ncc(c(Nc2ccc3nc[nH]c3c2)n1)C(F)(F)F

InChI Key: InChIKey=TYFCEWJSIGSMEL-UHFFFAOYSA-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 = 50164701   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164701 (CHEMBL195717 | N*4*-(3H-Benzoimidazol-5-yl)-N*2*-(...) Show SMILES CN(c1cccc(Cl)c1)c1ncc(c(Nc2ccc3nc[nH]c3c2)n1)C(F)(F)F Show InChI InChI=1S/C19H14ClF3N6/c1-29(13-4-2-3-11(20)7-13)18-24-9-14(19(21,22)23)17(28-18)27-12-5-6-15-16(8-12)26-10-25-15/h2-10H,1H3,(H,25,26)(H,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair