BDBM168386 US9669034, 5 (rac)-Ethyl{[3-({4-[2-(benzyloxy)-4-fluorophenyl]-1,3,5-triazin-2-yl}amino)benzyl](methyl)oxido-λ6-sulfanylidene}carbamate

SMILES: CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1

InChI Key: InChIKey=XFUZGXNPSFVFEG-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 = 168386   

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))	BDBM168386 (US9669034, 5 (rac)-Ethyl{[3-({4-[2-(benzyloxy)-4-f...) Show SMILES CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C27H26FN5O4S/c1-3-36-27(34)33-38(2,35)17-20-10-7-11-22(14-20)31-26-30-18-29-25(32-26)23-13-12-21(28)15-24(23)37-16-19-8-5-4-6-9-19/h4-15,18H,3,16-17H2,1-2H3,(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	250	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))	BDBM168386 (US9669034, 5 (rac)-Ethyl{[3-({4-[2-(benzyloxy)-4-f...) Show SMILES CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C27H26FN5O4S/c1-3-36-27(34)33-38(2,35)17-20-10-7-11-22(14-20)31-26-30-18-29-25(32-26)23-13-12-21(28)15-24(23)37-16-19-8-5-4-6-9-19/h4-15,18H,3,16-17H2,1-2H3,(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	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