BDBM168463 US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl)oxy]phenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine::US9669034, 56.a 4-{4-Fluoro-2-[(4-fluorobenzyl)oxy]phenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine;enantiomer1::US9669034, 56.b 4-{4-Fluoro-2-[(4-fluorobenzyl)oxy]phenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine;enantiomer2

SMILES: CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1

InChI Key: InChIKey=MBJQXRJIUIQIGV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 168463   

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
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-3-2-4-20(11-17)30-24-29-15-28-23(31-24)21-10-9-19(26)12-22(21)33-13-16-5-7-18(25)8-6-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)	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
CDK2/CycE (Homo sapiens (Human))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-3-2-4-20(11-17)30-24-29-15-28-23(31-24)21-10-9-19(26)12-22(21)33-13-16-5-7-18(25)8-6-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	410	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
CDK2/CycE (Homo sapiens (Human))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-3-2-4-20(11-17)30-24-29-15-28-23(31-24)21-10-9-19(26)12-22(21)33-13-16-5-7-18(25)8-6-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	560	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
CDK2/CycE (Homo sapiens (Human))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-3-2-4-20(11-17)30-24-29-15-28-23(31-24)21-10-9-19(26)12-22(21)33-13-16-5-7-18(25)8-6-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	560	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))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-3-2-4-20(11-17)30-24-29-15-28-23(31-24)21-10-9-19(26)12-22(21)33-13-16-5-7-18(25)8-6-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)	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	5	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))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-3-2-4-20(11-17)30-24-29-15-28-23(31-24)21-10-9-19(26)12-22(21)33-13-16-5-7-18(25)8-6-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)	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