null

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

InChI Key: InChIKey=OQCNZWDOWASPKR-NDEPHWFRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 258886   

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))	BDBM258886 (US9499492, 38) Show SMILES Cc1cc(C[S@@](C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r| Show InChI InChI=1S/C19H17F3N4OS/c1-11-5-12(10-28(2,23)27)7-14(6-11)25-19-24-9-17(22)18(26-19)15-4-3-13(20)8-16(15)21/h3-9,23H,10H2,1-2H3,(H,24,25,26)/t28-/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	6.49E+3	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))	BDBM258886 (US9499492, 38) Show SMILES Cc1cc(C[S@@](C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r| Show InChI InChI=1S/C19H17F3N4OS/c1-11-5-12(10-28(2,23)27)7-14(6-11)25-19-24-9-17(22)18(26-19)15-4-3-13(20)8-16(15)21/h3-9,23H,10H2,1-2H3,(H,24,25,26)/t28-/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	720	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))	BDBM258886 (US9499492, 38) Show SMILES Cc1cc(C[S@@](C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 |r| Show InChI InChI=1S/C19H17F3N4OS/c1-11-5-12(10-28(2,23)27)7-14(6-11)25-19-24-9-17(22)18(26-19)15-4-3-13(20)8-16(15)21/h3-9,23H,10H2,1-2H3,(H,24,25,26)/t28-/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	19	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