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SMILES: COCCS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N

InChI Key: InChIKey=YZIVCUAFHHWEHX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 258870   

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))	BDBM258870 (US9499492, 22) Show SMILES COCCS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N Show InChI InChI=1S/C22H17F6N5O2S/c1-35-4-5-36(34,31-12-29)11-13-6-14(22(26,27)28)8-16(7-13)32-21-30-10-19(25)20(33-21)17-3-2-15(23)9-18(17)24/h2-3,6-10H,4-5,11H2,1H3,(H,30,32,33)	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	7	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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM258870 (US9499492, 22) Show SMILES COCCS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N Show InChI InChI=1S/C22H17F6N5O2S/c1-35-4-5-36(34,31-12-29)11-13-6-14(22(26,27)28)8-16(7-13)32-21-30-10-19(25)20(33-21)17-3-2-15(23)9-18(17)24/h2-3,6-10H,4-5,11H2,1H3,(H,30,32,33)	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 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))	BDBM258870 (US9499492, 22) Show SMILES COCCS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N Show InChI InChI=1S/C22H17F6N5O2S/c1-35-4-5-36(34,31-12-29)11-13-6-14(22(26,27)28)8-16(7-13)32-21-30-10-19(25)20(33-21)17-3-2-15(23)9-18(17)24/h2-3,6-10H,4-5,11H2,1H3,(H,30,32,33)	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	1.20E+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