BDBM179847 US9669034, 112 (rac)-2-({5-Fluoro-2-[4-({3-[(S-methylsulfonimidoyl)methyl]phenyl}amino)-1,3,5-triazin-2-yl]phenoxy}methyl)prop-2-en-1-ol

SMILES: CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC(=C)CO)c1

InChI Key: InChIKey=ISLASAXDUXLSON-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 = 179847   

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))	BDBM179847 (US9669034, 112 (rac)-2-({5-Fluoro-2-[4-({3-[(S-met...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC(=C)CO)c1 Show InChI InChI=1S/C21H22FN5O3S/c1-14(10-28)11-30-19-9-16(22)6-7-18(19)20-24-13-25-21(27-20)26-17-5-3-4-15(8-17)12-31(2,23)29/h3-9,13,23,28H,1,10-12H2,2H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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))	BDBM179847 (US9669034, 112 (rac)-2-({5-Fluoro-2-[4-({3-[(S-met...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC(=C)CO)c1 Show InChI InChI=1S/C21H22FN5O3S/c1-14(10-28)11-30-19-9-16(22)6-7-18(19)20-24-13-25-21(27-20)26-17-5-3-4-15(8-17)12-31(2,23)29/h3-9,13,23,28H,1,10-12H2,2H3,(H,24,25,26,27)	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