null

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

InChI Key: InChIKey=YDZHKGRMQSRNSO-PGUFJCEWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 258881   

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))	BDBM258881 (US9499492, 33) Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC(N)=O |r| Show InChI InChI=1S/C19H15F8N5O2S2/c1-35(34,32-18(28)33)9-10-4-12(7-13(5-10)36(23,24,25,26)27)30-19-29-8-16(22)17(31-19)14-3-2-11(20)6-15(14)21/h2-8H,9H2,1H3,(H2,28,33)(H,29,30,31)/t35-/m1/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	99	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))	BDBM258881 (US9499492, 33) Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC(N)=O |r| Show InChI InChI=1S/C19H15F8N5O2S2/c1-35(34,32-18(28)33)9-10-4-12(7-13(5-10)36(23,24,25,26)27)30-19-29-8-16(22)17(31-19)14-3-2-11(20)6-15(14)21/h2-8H,9H2,1H3,(H2,28,33)(H,29,30,31)/t35-/m1/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))	BDBM258881 (US9499492, 33) Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC(N)=O |r| Show InChI InChI=1S/C19H15F8N5O2S2/c1-35(34,32-18(28)33)9-10-4-12(7-13(5-10)36(23,24,25,26)27)30-19-29-8-16(22)17(31-19)14-3-2-11(20)6-15(14)21/h2-8H,9H2,1H3,(H2,28,33)(H,29,30,31)/t35-/m1/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	16	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