null

SMILES: COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F

InChI Key: InChIKey=MPGNJCQEZSESLQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 187123   

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))	BDBM187123 (US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)	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	4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187123 (US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	169	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187123 (US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)	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	3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187123 (US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair