Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM180799'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180799 (US9133171, 13 | US9133171, 14 | US9133171, 4) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH 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 US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180799 (US9133171, 13 | US9133171, 14 | US9133171, 4) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH 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 US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180799 (US9133171, 13 | US9133171, 14 | US9133171, 4) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH 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 US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180799 (US9133171, 13 | US9133171, 14 | US9133171, 4) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH 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 US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180799 (US9133171, 13 | US9133171, 14 | US9133171, 4) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH 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 US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180799 (US9133171, 13 | US9133171, 14 | US9133171, 4) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	22
Bayer Intellectual Property GmbH 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 US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair