Compile Data Set for Download or QSAR

Found 255 hits with Last Name = 'rühter' and Initial = 'g'   

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-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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50082930 (CHEMBL117662 | [6-(4-Carbamimidoyl-benzoylamino)-1...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1 Show InChI InChI=1S/C20H19N3O4/c21-19(22)11-1-3-12(4-2-11)20(27)23-15-7-8-16-13(9-15)5-6-14(18(16)26)10-17(24)25/h1-4,7-9,14H,5-6,10H2,(H3,21,22)(H,23,27)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)				J Med Chem 42: 4875-89 (1999) BindingDB Entry DOI: 10.7270/Q2NC60DZ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50082933 (CHEMBL323720 | [6-(4-Carbamimidoyl-benzoylamino)-c...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2OC(CC(O)=O)CCc2c1 Show InChI InChI=1S/C19H19N3O4/c20-18(21)11-1-3-12(4-2-11)19(25)22-14-6-8-16-13(9-14)5-7-15(26-16)10-17(23)24/h1-4,6,8-9,15H,5,7,10H2,(H3,20,21)(H,22,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)				J Med Chem 42: 4875-89 (1999) BindingDB Entry DOI: 10.7270/Q2NC60DZ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50082933 (CHEMBL323720 | [6-(4-Carbamimidoyl-benzoylamino)-c...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2OC(CC(O)=O)CCc2c1 Show InChI InChI=1S/C19H19N3O4/c20-18(21)11-1-3-12(4-2-11)19(25)22-14-6-8-16-13(9-14)5-7-15(26-16)10-17(23)24/h1-4,6,8-9,15H,5,7,10H2,(H3,20,21)(H,22,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					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-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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50082930 (CHEMBL117662 | [6-(4-Carbamimidoyl-benzoylamino)-1...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1 Show InChI InChI=1S/C20H19N3O4/c21-19(22)11-1-3-12(4-2-11)20(27)23-15-7-8-16-13(9-15)5-6-14(18(16)26)10-17(24)25/h1-4,7-9,14H,5-6,10H2,(H3,21,22)(H,23,27)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM168387 (US9669034, 6 (rac)-4-[2-(Benzyloxy)-4-fluorophenyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C24H22FN5O2S/c1-33(26,31)15-18-8-5-9-20(12-18)29-24-28-16-27-23(30-24)21-11-10-19(25)13-22(21)32-14-17-6-3-2-4-7-17/h2-13,16,26H,14-15H2,1H3,(H,27,28,29,30)	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058914 (CHEMBL303597 | [6-(4-Carbamimidoyl-benzoylamino)-1...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)N(CC(O)=O)CCc2c1 Show InChI InChI=1S/C19H18N4O4/c20-17(21)11-1-3-12(4-2-11)18(26)22-14-5-6-15-13(9-14)7-8-23(19(15)27)10-16(24)25/h1-6,9H,7-8,10H2,(H3,20,21)(H,22,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)				J Med Chem 42: 4875-89 (1999) BindingDB Entry DOI: 10.7270/Q2NC60DZ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085605 (CHEMBL126411 | [6-(4-Carbamimidoyl-2-fluoro-benzoy...) Show SMILES NC(=N)c1ccc(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(F)c1 Show InChI InChI=1S/C20H18FN3O4/c21-16-8-12(19(22)23)3-5-15(16)20(28)24-13-4-6-14-10(7-13)1-2-11(18(14)27)9-17(25)26/h3-8,11H,1-2,9H2,(H3,22,23)(H,24,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					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-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))	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))	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))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/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	4	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))	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	4	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))	BDBM168386 (US9669034, 5 (rac)-Ethyl{[3-({4-[2-(benzyloxy)-4-f...) Show SMILES CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C27H26FN5O4S/c1-3-36-27(34)33-38(2,35)17-20-10-7-11-22(14-20)31-26-30-18-29-25(32-26)23-13-12-21(28)15-24(23)37-16-19-8-5-4-6-9-19/h4-15,18H,3,16-17H2,1-2H3,(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	4	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))	BDBM179847 (US9669034, 112 (rac)-2-({5-Fluoro-2-[4-({3-[(S-met...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC(=C)CO)c1 Show InChI InChI=1S/C21H22FN5O3S/c1-14(10-28)11-30-19-9-16(22)6-7-18(19)20-24-13-25-21(27-20)26-17-5-3-4-15(8-17)12-31(2,23)29/h3-9,13,23,28H,1,10-12H2,2H3,(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	4	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))	BDBM170518 (US9669034, 92 (rac)-4-{2-[(3-Chlorobenzyl)oxy]-4-f...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C24H21ClFN5O2S/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	4	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))	BDBM175884 (US9669034, 101 (rac)-4-{4-Fluoro-2-[(2,3,5-trifluo...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(F)c2F)c1 Show InChI InChI=1S/C24H19F4N5O2S/c1-36(29,34)12-14-3-2-4-18(7-14)32-24-31-13-30-23(33-24)19-6-5-16(25)10-21(19)35-11-15-8-17(26)9-20(27)22(15)28/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	4	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))	BDBM179656 (US9669034, 107 (rac)-[Ethyl(3-{[4-(4-fluoro-2-meth...) Show SMILES CCS(=O)(Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1)=NC#N Show InChI InChI=1S/C20H19FN6O2S/c1-3-30(28,25-12-22)11-14-5-4-6-16(9-14)26-20-24-13-23-19(27-20)17-8-7-15(21)10-18(17)29-2/h4-10,13H,3,11H2,1-2H3,(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	4	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))	BDBM170513 (US9669034, 89 (rac)-4-(4-Fluoro-2-{[3-fluoro-5-(tr...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)cc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C25H20F5N5O2S/c1-38(31,36)13-15-3-2-4-20(9-15)34-24-33-14-32-23(35-24)21-6-5-18(26)11-22(21)37-12-16-7-17(25(28,29)30)10-19(27)8-16/h2-11,14,31H,12-13H2,1H3,(H,32,33,34,35)	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	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))	BDBM168432 (US9669034, 42 (rac)-Ethyl[{3-[(4-{2-[(4-fluorobenz...) Show SMILES CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccccc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C27H26FN5O4S/c1-3-36-27(34)33-38(2,35)17-20-7-6-8-22(15-20)31-26-30-18-29-25(32-26)23-9-4-5-10-24(23)37-16-19-11-13-21(28)14-12-19/h4-15,18H,3,16-17H2,1-2H3,(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	5	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))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/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	5	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))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(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	5	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085612 (CHEMBL126485 | [6-(4-Carbamimidoyl-2,6-difluoro-be...) Show SMILES NC(=N)c1cc(F)c(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(F)c1 Show InChI InChI=1S/C20H17F2N3O4/c21-14-6-11(19(23)24)7-15(22)17(14)20(29)25-12-3-4-13-9(5-12)1-2-10(18(13)28)8-16(26)27/h3-7,10H,1-2,8H2,(H3,23,24)(H,25,29)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 10: 385-9 (2000) BindingDB Entry DOI: 10.7270/Q2FB5252
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50082931 (CHEMBL148205 | [6-(4-Carbamimidoyl-benzoylamino)-3...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CN(CC(O)=O)CCc2c1 Show InChI InChI=1S/C19H20N4O3/c20-18(21)12-1-3-13(4-2-12)19(26)22-16-6-5-15-10-23(11-17(24)25)8-7-14(15)9-16/h1-6,9H,7-8,10-11H2,(H3,20,21)(H,22,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)				J Med Chem 42: 4875-89 (1999) BindingDB Entry DOI: 10.7270/Q2NC60DZ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50082932 (CHEMBL147258 | [6-(4-Carbamimidoyl-benzoylamino)-1...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CC(CC(O)=O)CCc2c1 Show InChI InChI=1S/C20H21N3O3/c21-19(22)13-3-5-14(6-4-13)20(26)23-17-8-7-15-9-12(10-18(24)25)1-2-16(15)11-17/h3-8,11-12H,1-2,9-10H2,(H3,21,22)(H,23,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)				J Med Chem 42: 4875-89 (1999) BindingDB Entry DOI: 10.7270/Q2NC60DZ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM169470 (US9669034, 77 (rac)-4-[4-Fluoro-2-(prop-2-yn-1-ylo...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCC#C)c1 Show InChI InChI=1S/C20H18FN5O2S/c1-3-9-28-18-11-15(21)7-8-17(18)19-23-13-24-20(26-19)25-16-6-4-5-14(10-16)12-29(2,22)27/h1,4-8,10-11,13,22H,9,12H2,2H3,(H,23,24,25,26)	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	5	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))	BDBM168463 (US9669034, 56 (rac)-4-{4-Fluoro-2-[(4-fluorobenzyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H21F2N5O2S/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	6	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))	BDBM175881 (US9669034, 100 (rac)-4-[4-Fluoro-2-(4,4,4-trifluor...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCCCC(F)(F)F)c1 Show InChI InChI=1S/C21H21F4N5O2S/c1-33(26,31)12-14-4-2-5-16(10-14)29-20-28-13-27-19(30-20)17-7-6-15(22)11-18(17)32-9-3-8-21(23,24)25/h2,4-7,10-11,13,26H,3,8-9,12H2,1H3,(H,27,28,29,30)	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	6	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))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(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	6	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))	BDBM168591 (US9669034, 70 (rac)-[(3-Fluoro-5-{[4-(4-fluoro-2-m...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H16F2N6O2S/c1-29-17-8-13(20)3-4-16(17)18-23-11-24-19(27-18)26-15-6-12(5-14(21)7-15)9-30(2,28)25-10-22/h3-8,11H,9H2,1-2H3,(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	6	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))	BDBM168449 (US9669034, 48 (rac)-[(3-{[4-(4-fluoro-2-methoxyphe...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H17FN6O2S/c1-28-17-9-14(20)6-7-16(17)18-22-12-23-19(26-18)25-15-5-3-4-13(8-15)10-29(2,27)24-11-21/h3-9,12H,10H2,1-2H3,(H,22,23,25,26)	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 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))	BDBM168449 (US9669034, 48 (rac)-[(3-{[4-(4-fluoro-2-methoxyphe...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=NC#N)c2)n1 Show InChI InChI=1S/C19H17FN6O2S/c1-28-17-9-14(20)6-7-16(17)18-22-12-23-19(26-18)25-15-5-3-4-13(8-15)10-29(2,27)24-11-21/h3-9,12H,10H2,1-2H3,(H,22,23,25,26)	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 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))	BDBM168387 (US9669034, 6 (rac)-4-[2-(Benzyloxy)-4-fluorophenyl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1 Show InChI InChI=1S/C24H22FN5O2S/c1-33(26,31)15-18-8-5-9-20(12-18)29-24-28-16-27-23(30-24)21-11-10-19(25)13-22(21)32-14-17-6-3-2-4-7-17/h2-13,16,26H,14-15H2,1H3,(H,27,28,29,30)	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 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))	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	7	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))	BDBM179442 (US9669034, 106 (rac)-N-{3,4-Difluoro-5-[(S-methyls...) Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C18H16F3N5O2S/c1-28-15-6-11(19)3-4-13(15)17-23-9-24-18(26-17)25-12-5-10(8-29(2,22)27)16(21)14(20)7-12/h3-7,9,22H,8H2,1-2H3,(H,23,24,25,26)	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 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))	BDBM170519 (US9669034, 93 (rac)-4-[4-Fluoro-2-(1,2-oxazol-3-yl...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccon2)c1 Show InChI InChI=1S/C21H19FN6O3S/c1-32(23,29)12-14-3-2-4-16(9-14)26-21-25-13-24-20(27-21)18-6-5-15(22)10-19(18)30-11-17-7-8-31-28-17/h2-10,13,23H,11-12H2,1H3,(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	7	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))	BDBM176285 (US9669034, 102 (rac)-4-{2-[(2Z)-But-2-en-1-yloxy]-...) Show SMILES C\C=C/COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C21H22FN5O2S/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/h3-9,11-12,14,23H,10,13H2,1-2H3,(H,24,25,26,27)/b4-3-	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 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))	BDBM176755 (US9669034, 103 (rac)-4-{4-Fluoro-2-[(2,4,5-trifluo...) Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)c(F)cc2F)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)9-22(18)35-11-15-8-20(27)21(28)10-19(15)26/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	7	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))	BDBM168394 (US9669034, 15 (rac)-1-[(3-{[4-(4-Fluoro-2-methoxyp...) Show SMILES CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OC)c1 Show InChI InChI=1S/C20H21FN6O3S/c1-22-20(28)27-31(3,29)11-13-5-4-6-15(9-13)25-19-24-12-23-18(26-19)16-8-7-14(21)10-17(16)30-2/h4-10,12H,11H2,1-3H3,(H,22,28)(H,23,24,25,26)	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 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))	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	8	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

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