Compile Data Set for Download or QSAR

Found 2350 hits with Last Name = 'lücking' and Initial = 'u'   

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))	BDBM180827 (US9133171, 32) Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C21H19F2N5O3S/c1-30-16-7-13(11-32(3,29)26-12-24)6-15(9-16)27-21-25-10-18(23)20(28-21)17-5-4-14(22)8-19(17)31-2/h4-10H,11H2,1-3H3,(H,25,27,28)	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	1	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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187124 (US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)	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	1	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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187120 (US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)	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	2	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 (Homo sapiens (Human))	BDBM2553 (US8507510, 1.44) Show SMILES C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r| Show InChI InChI=1S/C15H20BrN5O2S/c1-9(10(2)22)19-14-13(16)8-18-15(21-14)20-11-4-6-12(7-5-11)24(3,17)23/h4-10,17,22H,1-3H3,(H2,18,19,20,21)/t9-,10+,24?/m1/s1	PDB MMDB NCI pathway 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	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM170016 (US9669034, 82 (rac)-4-{4-Fluoro-2-[(2-fluoropyridi...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1 Show InChI InChI=1S/C23H20F2N6O2S/c1-34(26,32)13-16-3-2-4-18(9-16)30-23-29-14-28-22(31-23)19-6-5-17(24)11-20(19)33-12-15-7-8-27-21(25)10-15/h2-11,14,26H,12-13H2,1H3,(H,28,29,30,31)	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	2	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187121 (US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)	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	2	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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187122 (US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F Show InChI InChI=1S/C19H16F3N3O3S/c1-28-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(5-17(22)24-19)10-29(2,26)27/h3-9H,10H2,1-2H3,(H,23,24,25)	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	2	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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187124 (US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)	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	2	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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM170515 (US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(F)c2)c1 Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-5-3-7-20(11-17)30-24-29-15-28-23(31-24)21-9-8-19(26)12-22(21)33-13-16-4-2-6-18(25)10-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)	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	2	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM175041 (US9669034, 99 (rac)-4-{4-Fluoro-2-[(2-methylprop-2...) Show SMILES CC(=C)COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C21H22FN5O2S/c1-14(2)11-29-19-10-16(22)7-8-18(19)20-24-13-25-21(27-20)26-17-6-4-5-15(9-17)12-30(3,23)28/h4-10,13,23H,1,11-12H2,2-3H3,(H,24,25,26,27)	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	2	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM176781 (US9669034, 104 (rac)-4-{4-Fluoro-2-[(3,4,5-trifluo...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)c(F)c(F)c2)c1 Show InChI InChI=1S/C24H19F4N5O2S/c1-36(29,34)12-14-3-2-4-17(7-14)32-24-31-13-30-23(33-24)18-6-5-16(25)10-21(18)35-11-15-8-19(26)22(28)20(27)9-15/h2-10,13,29H,11-12H2,1H3,(H,30,31,32,33)	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	2	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM179848 (US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1 Show InChI InChI=1S/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28)	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	2	n/a	n/a	n/a	n/a	8.0	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180824 (US9133171, 29 | US9133171, 30 | US9133171, 31) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)	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 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	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))	BDBM180823 (US9133171, 28) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H16BrF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)	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))	BDBM180824 (US9133171, 29 | US9133171, 30 | US9133171, 31) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)	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))	BDBM180824 (US9133171, 29 | US9133171, 30 | US9133171, 31) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)	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))	BDBM180851 (US9133171, 56) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H16ClF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)	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))	BDBM180853 (US9133171, 58) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C21H19F2N5O2S/c1-13-6-14(11-31(3,29)26-12-24)8-16(7-13)27-21-25-10-18(23)20(28-21)17-5-4-15(22)9-19(17)30-2/h4-10H,11H2,1-3H3,(H,25,27,28)	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))	BDBM180836 (US9133171, 41) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)	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 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))	BDBM180837 (US9133171, 42) Show SMILES CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N Show InChI InChI=1S/C21H18F3N5O2S/c1-3-32(30,27-12-25)11-13-6-15(23)8-16(7-13)28-21-26-10-18(24)20(29-21)17-5-4-14(22)9-19(17)31-2/h4-10H,3,11H2,1-2H3,(H,26,28,29)	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 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))	BDBM180843 (US9133171, 48) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F Show InChI InChI=1S/C22H19F2N5O2S/c1-31-20-10-15(23)5-8-18(20)21-19(24)11-26-22(29-21)28-16-4-2-3-14(9-16)12-32(30,27-13-25)17-6-7-17/h2-5,8-11,17H,6-7,12H2,1H3,(H,26,28,29)	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 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))	BDBM180815 (US9133171, 20) Show SMILES CCS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N Show InChI InChI=1S/C21H19F2N5O2S/c1-3-31(29,26-13-24)12-14-5-4-6-16(9-14)27-21-25-11-18(23)20(28-21)17-8-7-15(22)10-19(17)30-2/h4-11H,3,12H2,1-2H3,(H,25,27,28)	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 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))	BDBM180819 (US9133171, 24) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H15F4N5O2S/c1-31-17-6-12(21)3-4-14(17)19-16(23)8-26-20(29-19)28-13-5-11(18(24)15(22)7-13)9-32(2,30)27-10-25/h3-8H,9H2,1-2H3,(H,26,28,29)	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 purchased fro...				US Patent US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2492 (US8507510, 1.25 | US8507510, 1.27) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r| Show InChI InChI=1S/C16H22BrN5O3S/c1-9(10(2)23)20-15-12(17)8-19-16(22-15)21-11-5-6-14(26(4,18)24)13(7-11)25-3/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t9-,10+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2491 (US8507510, 1.26) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=N)=O |r| Show InChI InChI=1S/C16H22BrN5O3S/c1-9(10(2)23)20-15-12(17)8-19-16(22-15)21-11-5-6-14(26(4,18)24)13(7-11)25-3/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t9-,10-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2544 (US8507510, 1.23 | US8507510, 1.41) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r| Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1	PDB MMDB NCI pathway 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	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2544 (US8507510, 1.23 | US8507510, 1.41) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r| Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2546 (US8507510, 1.42) Show SMILES C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r| Show InChI InChI=1S/C16H22BrN5O2S/c1-10(16(2,3)23)20-14-13(17)9-19-15(22-14)21-11-5-7-12(8-6-11)25(4,18)24/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t10-,25?/m0/s1	PDB MMDB NCI pathway 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	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187120 (US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)	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	2	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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM169242 (US9669034, 73 (rac)-4-[2-(But-2-yn-1-yloxy)-4-fluo...) Show SMILES CC#CCOc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C21H20FN5O2S/c1-3-4-10-29-19-12-16(22)8-9-18(19)20-24-14-25-21(27-20)26-17-7-5-6-15(11-17)13-30(2,23)28/h5-9,11-12,14,23H,10,13H2,1-2H3,(H,24,25,26,27)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2492 (US8507510, 1.25 | US8507510, 1.27) Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r| Show InChI InChI=1S/C16H22BrN5O3S/c1-9(10(2)23)20-15-12(17)8-19-16(22-15)21-11-5-6-14(26(4,18)24)13(7-11)25-3/h5-10,18,23H,1-4H3,(H2,19,20,21,22)/t9-,10+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description Kinase assay using either CDK1, CDK2 or VEGFR-2.				US Patent US8507510 (2013) BindingDB Entry DOI: 10.7270/Q2V69H76
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187121 (US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)	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 purchased fro...				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))	BDBM187122 (US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F Show InChI InChI=1S/C19H16F3N3O3S/c1-28-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(5-17(22)24-19)10-29(2,26)27/h3-9H,10H2,1-2H3,(H,23,24,25)	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 purchased fro...				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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM170507 (US9669034, 87 (rac)-4-{2-[(4-Chlorobenzyl)oxy]-4-f...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H21ClFN5O2S/c1-34(27,32)14-17-3-2-4-20(11-17)30-24-29-15-28-23(31-24)21-10-9-19(26)12-22(21)33-13-16-5-7-18(25)8-6-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM170520 (US9669034, 94 (rac)-4-{2-[(3-Chloro-5-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(Cl)c2)c1 Show InChI InChI=1S/C24H20ClF2N5O2S/c1-35(28,33)13-15-3-2-4-20(9-15)31-24-30-14-29-23(32-24)21-6-5-18(26)11-22(21)34-12-16-7-17(25)10-19(27)8-16/h2-11,14,28H,12-13H2,1H3,(H,29,30,31,32)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM174598 (US9669034, 96 (rac)-4-{4-Fluoro-2-[(4-fluoro-3-met...) Show SMILES Cc1cc(COc2cc(F)ccc2-c2ncnc(Nc3cccc(CS(C)(=N)=O)c3)n2)ccc1F Show InChI InChI=1S/C25H23F2N5O2S/c1-16-10-17(6-9-22(16)27)13-34-23-12-19(26)7-8-21(23)24-29-15-30-25(32-24)31-20-5-3-4-18(11-20)14-35(2,28)33/h3-12,15,28H,13-14H2,1-2H3,(H,29,30,31,32)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM174850 (US9669034, 97 (rac)-4-{2-[(3-Chloro-4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C24H20ClF2N5O2S/c1-35(28,33)13-16-3-2-4-18(9-16)31-24-30-14-29-23(32-24)19-7-6-17(26)11-22(19)34-12-15-5-8-21(27)20(25)10-15/h2-11,14,28H,12-13H2,1H3,(H,29,30,31,32)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM174971 (US9669034, 98 (rac)-3-({5-Fluoro-2-[4-({3-[(S-meth...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(c2)C#N)c1 Show InChI InChI=1S/C25H21FN6O2S/c1-35(28,33)15-19-6-3-7-21(11-19)31-25-30-16-29-24(32-25)22-9-8-20(26)12-23(22)34-14-18-5-2-4-17(10-18)13-27/h2-12,16,28H,14-15H2,1H3,(H,29,30,31,32)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM179392 (US9669034, 105 (rac)-[(2,3-Difluoro-5-{[4-(4-fluor...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H15F3N6O2S/c1-30-16-6-12(20)3-4-14(16)18-24-10-25-19(28-18)27-13-5-11(17(22)15(21)7-13)8-31(2,29)26-9-23/h3-7,10H,8H2,1-2H3,(H,24,25,27,28)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM179686 (US9669034, 111 (rac)-[(3-{[4-(4-Fluoro-2-methoxyph...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C20H19FN6O2S/c1-13-6-14(10-30(3,28)25-11-22)8-16(7-13)26-20-24-12-23-19(27-20)17-5-4-15(21)9-18(17)29-2/h4-9,12H,10H2,1-3H3,(H,23,24,26,27)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM258868 (US9499492, 20) Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1 Show InChI InChI=1S/C20H16F3N5O2S/c1-30-15-6-12(10-31(2,29)26-11-24)5-14(8-15)27-20-25-9-18(23)19(28-20)16-4-3-13(21)7-17(16)22/h3-9H,10H2,1-2H3,(H,25,27,28)	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	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))	BDBM170016 (US9669034, 82 (rac)-4-{4-Fluoro-2-[(2-fluoropyridi...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1 Show InChI InChI=1S/C23H20F2N6O2S/c1-34(26,32)13-16-3-2-4-18(9-16)30-23-29-14-28-22(31-23)19-6-5-17(24)11-20(19)33-12-15-7-8-27-21(25)10-15/h2-11,14,26H,12-13H2,1H3,(H,28,29,30,31)	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	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9669034 (2017) BindingDB Entry DOI: 10.7270/Q22Z13PG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM180824 (US9133171, 29 | US9133171, 30 | US9133171, 31) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)	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))	BDBM180819 (US9133171, 24) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F Show InChI InChI=1S/C20H15F4N5O2S/c1-31-17-6-12(21)3-4-14(17)19-16(23)8-26-20(29-19)28-13-5-11(18(24)15(22)7-13)9-32(2,30)27-10-25/h3-8H,9H2,1-2H3,(H,26,28,29)	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 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))	BDBM180824 (US9133171, 29 | US9133171, 30 | US9133171, 31) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)	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 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))	BDBM180836 (US9133171, 41) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)	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 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))	BDBM180856 (US9133171, 61 | US9133171, 62 | US9133171, 63) Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F Show InChI InChI=1S/C19H17F7N4O2S2/c1-32-17-7-12(20)3-4-15(17)18-16(21)9-28-19(30-18)29-13-5-11(10-33(2,27)31)6-14(8-13)34(22,23,24,25)26/h3-9,27H,10H2,1-2H3,(H,28,29,30)	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 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))	BDBM180859 (US9133171, 64) Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)	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 purchase from...				US Patent US9133171 (2015) BindingDB Entry DOI: 10.7270/Q2SX6C0W
					More data for this Ligand-Target Pair

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