BDBM176285 US9669034, 102 (rac)-4-{2-[(2Z)-But-2-en-1-yloxy]-4-fluorophenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine

SMILES: C\C=C/COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1

InChI Key: InChIKey=KDWXTPDMELXCLF-ARJAWSKDSA-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 = 176285   

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))	BDBM176285 (US9669034, 102 (rac)-4-{2-[(2Z)-But-2-en-1-yloxy]-...) Show SMILES C\C=C/COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C21H22FN5O2S/c1-3-4-10-29-19-12-16(22)8-9-18(19)20-24-14-25-21(27-20)26-17-7-5-6-15(11-17)13-30(2,23)28/h3-9,11-12,14,23H,10,13H2,1-2H3,(H,24,25,26,27)/b4-3-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	800	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))	BDBM176285 (US9669034, 102 (rac)-4-{2-[(2Z)-But-2-en-1-yloxy]-...) Show SMILES C\C=C/COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C21H22FN5O2S/c1-3-4-10-29-19-12-16(22)8-9-18(19)20-24-14-25-21(27-20)26-17-7-5-6-15(11-17)13-30(2,23)28/h3-9,11-12,14,23H,10,13H2,1-2H3,(H,24,25,26,27)/b4-3-	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