Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM180812'   

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))	BDBM180812 (US9133171, 17 | US9133171, 18 | US9133171, 19) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)	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	3	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))	BDBM180812 (US9133171, 17 | US9133171, 18 | US9133171, 19) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)	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 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))	BDBM180812 (US9133171, 17 | US9133171, 18 | US9133171, 19) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)	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))	BDBM180812 (US9133171, 17 | US9133171, 18 | US9133171, 19) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)	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 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))	BDBM180812 (US9133171, 17 | US9133171, 18 | US9133171, 19) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)	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))	BDBM180812 (US9133171, 17 | US9133171, 18 | US9133171, 19) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)	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	11	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