BDBM50246329 3-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-N,N-dimethylbenzamide::CHEMBL453649

SMILES: CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2cccc(c2)C(=O)N(C)C)ncc1C(F)(F)F

InChI Key: InChIKey=HDYKBDDVLBBJFO-IAGOWNOFSA-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 = 50246329   

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))	BDBM50246329 (3-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5...) Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2cccc(c2)C(=O)N(C)C)ncc1C(F)(F)F |r| Show InChI InChI=1S/C21H27F3N6O/c1-29(2)17-10-6-9-16(17)27-18-15(21(22,23)24)12-25-20(28-18)26-14-8-5-7-13(11-14)19(31)30(3)4/h5,7-8,11-12,16-17H,6,9-10H2,1-4H3,(H2,25,26,27,28)/t16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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))	BDBM50246329 (3-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5...) Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2cccc(c2)C(=O)N(C)C)ncc1C(F)(F)F |r| Show InChI InChI=1S/C21H27F3N6O/c1-29(2)17-10-6-9-16(17)27-18-15(21(22,23)24)12-25-20(28-18)26-14-8-5-7-13(11-14)19(31)30(3)4/h5,7-8,11-12,16-17H,6,9-10H2,1-4H3,(H2,25,26,27,28)/t16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+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				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