BDBM168457 US9669034, 51 (rac)-Ethyl[(3-fluoro-5-{[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}benzyl)(methyl)oxido-λ6-sulfanylidene]carbamate

SMILES: CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1

InChI Key: InChIKey=MMDJQSYPCUVOEL-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 = 168457   

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))	BDBM168457 (US9669034, 51 (rac)-Ethyl[(3-fluoro-5-{[4-(4-fluor...) Show SMILES CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C21H21F2N5O4S/c1-4-32-21(29)28-33(3,30)11-13-7-15(23)9-16(8-13)26-20-25-12-24-19(27-20)17-6-5-14(22)10-18(17)31-2/h5-10,12H,4,11H2,1-3H3,(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	430	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))	BDBM168457 (US9669034, 51 (rac)-Ethyl[(3-fluoro-5-{[4-(4-fluor...) Show SMILES CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C21H21F2N5O4S/c1-4-32-21(29)28-33(3,30)11-13-7-15(23)9-16(8-13)26-20-25-12-24-19(27-20)17-6-5-14(22)10-18(17)31-2/h5-10,12H,4,11H2,1-3H3,(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	10	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