BDBM258880 US9499492, 32

SMILES: C[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F

InChI Key: InChIKey=LCUQLPMTQFAZGB-YTTGMZPUSA-N

Data: 3 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 3 hits for monomerid = 258880   

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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM258880 (US9499492, 32) Show SMILES C[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F |r| Show InChI InChI=1S/C18H14F8N4OS2/c1-32(27,31)9-10-4-12(7-13(5-10)33(22,23,24,25)26)29-18-28-8-16(21)17(30-18)14-3-2-11(19)6-15(14)20/h2-8,27H,9H2,1H3,(H,28,29,30)/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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 Pharma Aktiengesellschaft US Patent					Assay Description Method 1b: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...				US Patent US9499492 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GW0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/Glutathione S-transferase P (Homo sapiens (Human))	BDBM258880 (US9499492, 32) Show SMILES C[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F |r| Show InChI InChI=1S/C18H14F8N4OS2/c1-32(27,31)9-10-4-12(7-13(5-10)33(22,23,24,25)26)29-18-28-8-16(21)17(30-18)14-3-2-11(19)6-15(14)20/h2-8,27H,9H2,1H3,(H,28,29,30)/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	8.0	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...				US Patent US9499492 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GW0
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM258880 (US9499492, 32) Show SMILES C[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F |r| Show InChI InChI=1S/C18H14F8N4OS2/c1-32(27,31)9-10-4-12(7-13(5-10)33(22,23,24,25)26)29-18-28-8-16(21)17(30-18)14-3-2-11(19)6-15(14)20/h2-8,27H,9H2,1H3,(H,28,29,30)/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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 Pharma Aktiengesellschaft US Patent					Assay Description Method 1a: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...				US Patent US9499492 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GW0
					More data for this Ligand-Target Pair