BDBM50246377 CHEMBL452340::N4-((1R,2R)-2-(dimethylamino)cyclopentyl)-N2-(pyridin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

SMILES: CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccncc2)ncc1C(F)(F)F

InChI Key: InChIKey=CACAHNPUHHBBQA-ZIAGYGMSSA-N

Data: 2 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 = 50246377   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50246377 (CHEMBL452340 | N4-((1R,2R)-2-(dimethylamino)cyclop...) Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccncc2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N6/c1-26(2)14-5-3-4-13(14)24-15-12(17(18,19)20)10-22-16(25-15)23-11-6-8-21-9-7-11/h6-10,13-14H,3-5H2,1-2H3,(H2,21,22,23,24,25)/t13-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6071-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.030 BindingDB Entry DOI: 10.7270/Q2C8295H
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50246377 (CHEMBL452340 | N4-((1R,2R)-2-(dimethylamino)cyclop...) Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccncc2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N6/c1-26(2)14-5-3-4-13(14)24-15-12(17(18,19)20)10-22-16(25-15)23-11-6-8-21-9-7-11/h6-10,13-14H,3-5H2,1-2H3,(H2,21,22,23,24,25)/t13-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation				Bioorg Med Chem Lett 18: 6071-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.030 BindingDB Entry DOI: 10.7270/Q2C8295H
					More data for this Ligand-Target Pair