BDBM174598 US9669034, 96 (rac)-4-{4-Fluoro-2-[(4-fluoro-3-methylbenzyl)oxy]phenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine

SMILES: Cc1cc(COc2cc(F)ccc2-c2ncnc(Nc3cccc(CS(C)(=N)=O)c3)n2)ccc1F

InChI Key: InChIKey=XCHXFUWJBRPMQZ-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 = 174598   

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))	BDBM174598 (US9669034, 96 (rac)-4-{4-Fluoro-2-[(4-fluoro-3-met...) Show SMILES Cc1cc(COc2cc(F)ccc2-c2ncnc(Nc3cccc(CS(C)(=N)=O)c3)n2)ccc1F Show InChI InChI=1S/C25H23F2N5O2S/c1-16-10-17(6-9-22(16)27)13-34-23-12-19(26)7-8-21(23)24-29-15-30-25(32-24)31-20-5-3-4-18(11-20)14-35(2,28)33/h3-12,15,28H,13-14H2,1-2H3,(H,29,30,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	350	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))	BDBM174598 (US9669034, 96 (rac)-4-{4-Fluoro-2-[(4-fluoro-3-met...) Show SMILES Cc1cc(COc2cc(F)ccc2-c2ncnc(Nc3cccc(CS(C)(=N)=O)c3)n2)ccc1F Show InChI InChI=1S/C25H23F2N5O2S/c1-16-10-17(6-9-22(16)27)13-34-23-12-19(26)7-8-21(23)24-29-15-30-25(32-24)31-20-5-3-4-18(11-20)14-35(2,28)33/h3-12,15,28H,13-14H2,1-2H3,(H,29,30,31,32)	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	3	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