BDBM168394 US9669034, 15 (rac)-1-[(3-{[4-(4-Fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]-3-methylurea

SMILES: CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1

InChI Key: InChIKey=ZNBYJYKSLRFMRF-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 = 168394   

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))	BDBM168394 (US9669034, 15 (rac)-1-[(3-{[4-(4-Fluoro-2-methoxyp...) Show SMILES CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C20H21FN6O3S/c1-22-20(28)27-31(3,29)11-13-5-4-6-15(9-13)25-19-24-12-23-18(26-19)16-8-7-14(21)10-17(16)30-2/h4-10,12H,11H2,1-3H3,(H,22,28)(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	930	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))	BDBM168394 (US9669034, 15 (rac)-1-[(3-{[4-(4-Fluoro-2-methoxyp...) Show SMILES CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C20H21FN6O3S/c1-22-20(28)27-31(3,29)11-13-5-4-6-15(9-13)25-19-24-12-23-18(26-19)16-8-7-14(21)10-17(16)30-2/h4-10,12H,11H2,1-3H3,(H,22,28)(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