BDBM174971 US9669034, 98 (rac)-3-({5-Fluoro-2-[4-({3-[(S-methylsulfonimidoyl)methyl]phenyl}amino)-1,3,5-triazin-2-yl]phenoxy}methyl)benzonitrile

SMILES: CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(c2)C#N)c1

InChI Key: InChIKey=KBOXUYIQIFCQGQ-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 = 174971   

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))	BDBM174971 (US9669034, 98 (rac)-3-({5-Fluoro-2-[4-({3-[(S-meth...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(c2)C#N)c1 Show InChI InChI=1S/C25H21FN6O2S/c1-35(28,33)15-19-6-3-7-21(11-19)31-25-30-16-29-24(32-25)22-9-8-20(26)12-23(22)34-14-18-5-2-4-17(10-18)13-27/h2-12,16,28H,14-15H2,1H3,(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	180	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))	BDBM174971 (US9669034, 98 (rac)-3-({5-Fluoro-2-[4-({3-[(S-meth...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(c2)C#N)c1 Show InChI InChI=1S/C25H21FN6O2S/c1-35(28,33)15-19-6-3-7-21(11-19)31-25-30-16-29-24(32-25)22-9-8-20(26)12-23(22)34-14-18-5-2-4-17(10-18)13-27/h2-12,16,28H,14-15H2,1H3,(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