BDBM175881 US9669034, 100 (rac)-4-[4-Fluoro-2-(4,4,4-trifluorobutoxy)phenyl]-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine

SMILES: CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCCCC(F)(F)F)c1

InChI Key: InChIKey=KZXWFUVWMYMLGT-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 = 175881   

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))	BDBM175881 (US9669034, 100 (rac)-4-[4-Fluoro-2-(4,4,4-trifluor...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCCCC(F)(F)F)c1 Show InChI InChI=1S/C21H21F4N5O2S/c1-33(26,31)12-14-4-2-5-16(10-14)29-20-28-13-27-19(30-20)17-7-6-15(22)11-18(17)32-9-3-8-21(23,24)25/h2,4-7,10-11,13,26H,3,8-9,12H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+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
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM175881 (US9669034, 100 (rac)-4-[4-Fluoro-2-(4,4,4-trifluor...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCCCC(F)(F)F)c1 Show InChI InChI=1S/C21H21F4N5O2S/c1-33(26,31)12-14-4-2-5-16(10-14)29-20-28-13-27-19(30-20)17-7-6-15(22)11-18(17)32-9-3-8-21(23,24)25/h2,4-7,10-11,13,26H,3,8-9,12H2,1H3,(H,27,28,29,30)	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	6	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