BDBM170513 US9669034, 89 (rac)-4-(4-Fluoro-2-{[3-fluoro-5-(trifluoromethyl)benzyl]oxy}phenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazm-2-amine

SMILES: CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(c2)C(F)(F)F)c1

InChI Key: InChIKey=YYRGTROMMSPUAJ-UHFFFAOYSA-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 = 170513   

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
CDK2/CycE (Homo sapiens (Human))	BDBM170513 (US9669034, 89 (rac)-4-(4-Fluoro-2-{[3-fluoro-5-(tr...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C25H20F5N5O2S/c1-38(31,36)13-15-3-2-4-20(9-15)34-24-33-14-32-23(35-24)21-6-5-18(26)11-22(21)37-12-16-7-17(25(28,29)30)10-19(27)8-16/h2-11,14,31H,12-13H2,1H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM170513 (US9669034, 89 (rac)-4-(4-Fluoro-2-{[3-fluoro-5-(tr...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C25H20F5N5O2S/c1-38(31,36)13-15-3-2-4-20(9-15)34-24-33-14-32-23(35-24)21-6-5-18(26)11-22(21)37-12-16-7-17(25(28,29)30)10-19(27)8-16/h2-11,14,31H,12-13H2,1H3,(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair