BDBM179442 US9669034, 106 (rac)-N-{3,4-Difluoro-5-[(S-methylsulfonimidoyl)methyl]phenyl}-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine

SMILES: COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)n1

InChI Key: InChIKey=AARZZTJKBYIKBZ-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 = 179442   

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))	BDBM179442 (US9669034, 106 (rac)-N-{3,4-Difluoro-5-[(S-methyls...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C18H16F3N5O2S/c1-28-15-6-11(19)3-4-13(15)17-23-9-24-18(26-17)25-12-5-10(8-29(2,22)27)16(21)14(20)7-12/h3-7,9,22H,8H2,1-2H3,(H,23,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	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))	BDBM179442 (US9669034, 106 (rac)-N-{3,4-Difluoro-5-[(S-methyls...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C18H16F3N5O2S/c1-28-15-6-11(19)3-4-13(15)17-23-9-24-18(26-17)25-12-5-10(8-29(2,22)27)16(21)14(20)7-12/h3-7,9,22H,8H2,1-2H3,(H,23,24,25,26)	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	7	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