Compile Data Set for Download or QSAR

Found 612 hits with Last Name = 'bothe' 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
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254841 (US9487554, 28) Show SMILES CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cnnc(C)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H33N3O3/c1-17-14-20(16-29-30-17)24-8-9-25-23-7-4-18-15-19(27(34)31(3)13-11-26(32)33)5-6-21(18)22(23)10-12-28(24,25)2/h5-6,8,14-16,22-23,25H,4,7,9-13H2,1-3H3,(H,32,33)/t22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254826 (US9487554, 13) Show SMILES C[C@H](CC(O)=O)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-16(11-26(32)33)31-27(34)18-4-5-21-17(12-18)3-6-23-22(21)9-10-28(2)24(7-8-25(23)28)19-13-20(29)15-30-14-19/h4-5,7,12-16,22-23,25H,3,6,8-11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414477 (2-(Piperidin-4-yl)-5-({[6-(trifluoromethyl)pyridin...) Show SMILES NC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H19F3N6O2/c21-20(22,23)17-3-1-2-14(26-17)19(31)27-16-8-11-10-29(12-4-6-25-7-5-12)28-15(11)9-13(16)18(24)30/h1-3,8-10,12,25H,4-7H2,(H2,24,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414479 (Methyl 2-(1-methylpiperidin-4-yl)-5-({[6-(trifluor...) Show SMILES COC(=O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(C)CC1 Show InChI InChI=1S/C22H22F3N5O3/c1-29-8-6-14(7-9-29)30-12-13-10-18(15(21(32)33-2)11-17(13)28-30)27-20(31)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-12,14H,6-9H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414476 (N-{2-[1-(3-Hydroxy-3-methylbutyl)piperidin-4-yl]-6...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCC(C)(C)O)CC1 Show InChI InChI=1S/C25H30F3N5O3/c1-24(2,35)9-12-32-10-7-17(8-11-32)33-15-16-13-20(21(36-3)14-19(16)31-33)30-23(34)18-5-4-6-22(29-18)25(26,27)28/h4-6,13-15,17,35H,7-12H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414444 (6-(Difluoromethyl)-N-[6-methoxy-2-(tetrahydro-2H-p...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)F)C1CCOCC1 Show InChI InChI=1S/C20H20F2N4O3/c1-28-18-10-16-12(11-26(25-16)13-5-7-29-8-6-13)9-17(18)24-20(27)15-4-2-3-14(23-15)19(21)22/h2-4,9-11,13,19H,5-8H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414436 (N-{2-[1-(2-Hydroxyethyl)piperidin-4-yl]-6-methoxy-...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCO)CC1 Show InChI InChI=1S/C22H24F3N5O3/c1-33-19-12-17-14(13-30(28-17)15-5-7-29(8-6-15)9-10-31)11-18(19)27-21(32)16-3-2-4-20(26-16)22(23,24)25/h2-4,11-13,15,31H,5-10H2,1H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414432 (N-(2-{1-[2-(Dimethylamino)ethyl]piperidin-4-yl}-6-...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C24H29F3N6O2/c1-31(2)11-12-32-9-7-17(8-10-32)33-15-16-13-20(21(35-3)14-19(16)30-33)29-23(34)18-5-4-6-22(28-18)24(25,26)27/h4-6,13-15,17H,7-12H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414423 (N-[6-Methoxy-2-(1-methylpiperidin-4-yl)-2H-indazol...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(C)CC1 Show InChI InChI=1S/C21H22F3N5O2/c1-28-8-6-14(7-9-28)29-12-13-10-17(18(31-2)11-16(13)27-29)26-20(30)15-4-3-5-19(25-15)21(22,23)24/h3-5,10-12,14H,6-9H2,1-2H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414421 (N-[6-Methoxy-2-(piperidin-4-yl)-2H-indazol-5-yl]-6...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H20F3N5O2/c1-30-17-10-15-12(11-28(27-15)13-5-7-24-8-6-13)9-16(17)26-19(29)14-3-2-4-18(25-14)20(21,22)23/h2-4,9-11,13,24H,5-8H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254825 (US9487554, 12) Show SMILES C[C@@H](CC(O)=O)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-16(11-26(32)33)31-27(34)18-4-5-21-17(12-18)3-6-23-22(21)9-10-28(2)24(7-8-25(23)28)19-13-20(29)15-30-14-19/h4-5,7,12-16,22-23,25H,3,6,8-11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22+,23+,25-,28+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254815 (US9487554, 2) Show SMILES CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-28-11-9-22-21-5-4-18(27(34)31(2)12-10-26(32)33)13-17(21)3-6-23(22)25(28)8-7-24(28)19-14-20(29)16-30-15-19/h4-5,7,13-16,22-23,25H,3,6,8-12H2,1-2H3,(H,32,33)/t22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395298 (6-(Difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-...) Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395298 (6-(Difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-...) Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254814 (US9487554, 1) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)NCC3(CCOCC3)C(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:33| Show InChI InChI=1S/C31H35FN2O4/c1-30-9-8-24-23-4-3-20(28(35)34-18-31(29(36)37)10-12-38-13-11-31)14-19(23)2-5-25(24)27(30)7-6-26(30)21-15-22(32)17-33-16-21/h3-4,6,14-17,24-25,27H,2,5,7-13,18H2,1H3,(H,34,35)(H,36,37)/t24-,25-,27+,30-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254815 (US9487554, 2) Show SMILES CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-28-11-9-22-21-5-4-18(27(34)31(2)12-10-26(32)33)13-17(21)3-6-23(22)25(28)8-7-24(28)19-14-20(29)16-30-15-19/h4-5,7,13-16,22-23,25H,3,6,8-12H2,1-2H3,(H,32,33)/t22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM258453 (US9512169, 7) Show SMILES Cc1cc(cnn1)C1=CC[C@H]2[C@@H]3CCc4cc(OCC(O)=O)ccc4[C@H]3CC[C@]12C |r,t:8| Show InChI InChI=1S/C25H28N2O3/c1-15-11-17(13-26-27-15)22-7-8-23-21-5-3-16-12-18(30-14-24(28)29)4-6-19(16)20(21)9-10-25(22,23)2/h4,6-7,11-13,20-21,23H,3,5,8-10,14H2,1-2H3,(H,28,29)/t20-,21-,23+,25-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...				US Patent US9512169 (2016) BindingDB Entry DOI: 10.7270/Q24B3081
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453713 (2-(9-Ethyl-8-fluoro-6-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(F)c12)-c1nc2cc(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C26H24FN3O3/c1-4-29-22-7-5-16(13-18(22)19-11-15(2)12-20(27)24(19)29)25-28-21-14-17(26(31)32)6-8-23(21)30(25)9-10-33-3/h5-8,11-14H,4,9-10H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254825 (US9487554, 12) Show SMILES C[C@@H](CC(O)=O)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-16(11-26(32)33)31-27(34)18-4-5-21-17(12-18)3-6-23-22(21)9-10-28(2)24(7-8-25(23)28)19-13-20(29)15-30-14-19/h4-5,7,12-16,22-23,25H,3,6,8-11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22+,23+,25-,28+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254824 (US9487554, 11) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)N[C@@H]3CCC[C@@H]3C(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:31| Show InChI InChI=1S/C30H33FN2O3/c1-30-12-11-22-21-7-6-18(28(34)33-27-4-2-3-24(27)29(35)36)13-17(21)5-8-23(22)26(30)10-9-25(30)19-14-20(31)16-32-15-19/h6-7,9,13-16,22-24,26-27H,2-5,8,10-12H2,1H3,(H,33,34)(H,35,36)/t22-,23-,24+,26+,27-,30-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254826 (US9487554, 13) Show SMILES C[C@H](CC(O)=O)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-16(11-26(32)33)31-27(34)18-4-5-21-17(12-18)3-6-23-22(21)9-10-28(2)24(7-8-25(23)28)19-13-20(29)15-30-14-19/h4-5,7,12-16,22-23,25H,3,6,8-11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453711 (2-(9-Ethyl-8-fluoro-6-methyl-9H-carbazol-3-yl)-4-f...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(F)c12)-c1nc2c(F)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C26H23F2N3O3/c1-4-30-20-7-5-15(13-17(20)18-11-14(2)12-19(27)24(18)30)25-29-23-21(31(25)9-10-34-3)8-6-16(22(23)28)26(32)33/h5-8,11-13H,4,9-10H2,1-3H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254836 (US9487554, 23) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)N3CCC[C@H]3C(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:30| Show InChI InChI=1S/C29H31FN2O3/c1-29-11-10-22-21-6-5-18(27(33)32-12-2-3-26(32)28(34)35)13-17(21)4-7-23(22)25(29)9-8-24(29)19-14-20(30)16-31-15-19/h5-6,8,13-16,22-23,25-26H,2-4,7,9-12H2,1H3,(H,34,35)/t22-,23-,25+,26+,29-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254814 (US9487554, 1) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)NCC3(CCOCC3)C(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:33| Show InChI InChI=1S/C31H35FN2O4/c1-30-9-8-24-23-4-3-20(28(35)34-18-31(29(36)37)10-12-38-13-11-31)14-19(23)2-5-25(24)27(30)7-6-26(30)21-15-22(32)17-33-16-21/h3-4,6,14-17,24-25,27H,2,5,7-13,18H2,1H3,(H,34,35)(H,36,37)/t24-,25-,27+,30-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414481 (2-(1-Methylpiperidin-4-yl)-5-({[6-(trifluoromethyl...) Show SMILES CN1CCC(CC1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(N)=O Show InChI InChI=1S/C21H21F3N6O2/c1-29-7-5-13(6-8-29)30-11-12-9-17(14(19(25)31)10-16(12)28-30)27-20(32)15-3-2-4-18(26-15)21(22,23)24/h2-4,9-11,13H,5-8H2,1H3,(H2,25,31)(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414482 (N-{6-Methoxy-2-[1-(2-methoxyethyl)piperidin-4-yl]-...) Show SMILES COCCN1CCC(CC1)n1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OC)cc2n1 Show InChI InChI=1S/C23H26F3N5O3/c1-33-11-10-30-8-6-16(7-9-30)31-14-15-12-19(20(34-2)13-18(15)29-31)28-22(32)17-4-3-5-21(27-17)23(24,25)26/h3-5,12-14,16H,6-11H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM390177 (US9951086, Example 66) Show SMILES CCOc1cc2nn(CC(=O)N3CCC(CC3)N(C)C)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C25H29F3N6O3/c1-4-37-21-13-19-16(12-20(21)30-24(36)18-6-5-7-22(29-18)25(26,27)28)14-34(31-19)15-23(35)33-10-8-17(9-11-33)32(2)3/h5-7,12-14,17H,4,8-11,15H2,1-3H3,(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				Bioorg Med Chem Lett 17: 3972-7 (2007) BindingDB Entry DOI: 10.7270/Q2GQ713M
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM390155 (US9951086, Example 47) Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CC1 Show InChI InChI=1S/C24H24F3N5O4/c25-24(26,27)21-3-1-2-17(28-21)23(34)29-19-10-16-12-32(13-22(33)31-6-8-35-9-7-31)30-18(16)11-20(19)36-14-15-4-5-15/h1-3,10-12,15H,4-9,13-14H2,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				Bioorg Med Chem Lett 17: 3972-7 (2007) BindingDB Entry DOI: 10.7270/Q2GQ713M
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414445 (N-[6-Methoxy-2-(tetrahydro-2H-pyran-4-yl)-2H-indaz...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)N1CCOCC1)C1CCOCC1 Show InChI InChI=1S/C23H27N5O4/c1-30-21-14-19-16(15-28(26-19)17-5-9-31-10-6-17)13-20(21)25-23(29)18-3-2-4-22(24-18)27-7-11-32-12-8-27/h2-4,13-15,17H,5-12H2,1H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414439 (US10435396, Example 18 | rel-N-{6-Methoxy-2-[(1S,4...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@@H]1C[C@@H]2C[C@H]1CN2C |r| Show InChI InChI=1S/C22H22F3N5O2/c1-29-10-13-6-14(29)8-18(13)30-11-12-7-17(19(32-2)9-16(12)28-30)27-21(31)15-4-3-5-20(26-15)22(23,24)25/h3-5,7,9,11,13-14,18H,6,8,10H2,1-2H3,(H,27,31)/t13-,14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414435 (US10435396, Example 12 | rac-N-[6-Methoxy-2-(1-oxi...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=O)CC1 Show InChI InChI=1S/C20H19F3N4O3S/c1-30-17-10-15-12(11-27(26-15)13-5-7-31(29)8-6-13)9-16(17)25-19(28)14-3-2-4-18(24-14)20(21,22)23/h2-4,9-11,13H,5-8H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414428 (N-[6-Methoxy-2-(1′-methyl-1,4′-bipiper...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C1CCN(C)CC1 Show InChI InChI=1S/C26H31F3N6O2/c1-33-10-6-18(7-11-33)34-12-8-19(9-13-34)35-16-17-14-22(23(37-2)15-21(17)32-35)31-25(36)20-4-3-5-24(30-20)26(27,28)29/h3-5,14-16,18-19H,6-13H2,1-2H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414424 (N-[2-(1-Glycoloylpiperidin-4-yl)-6-methoxy-2H-inda...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C(=O)CO Show InChI InChI=1S/C22H22F3N5O4/c1-34-18-10-16-13(11-30(28-16)14-5-7-29(8-6-14)20(32)12-31)9-17(18)27-21(33)15-3-2-4-19(26-15)22(23,24)25/h2-4,9-11,14,31H,5-8,12H2,1H3,(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453704 (2-(9-Ethyl-6-fluoro-8-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2cc(F)cc(C)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C27H26FN3O3/c1-5-30-22-8-6-17(13-20(22)21-14-18(28)12-15(2)25(21)30)26-29-24-16(3)19(27(32)33)7-9-23(24)31(26)10-11-34-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254824 (US9487554, 11) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)N[C@@H]3CCC[C@@H]3C(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:31| Show InChI InChI=1S/C30H33FN2O3/c1-30-12-11-22-21-7-6-18(28(34)33-27-4-2-3-24(27)29(35)36)13-17(21)5-8-23(22)26(30)10-9-25(30)19-14-20(31)16-32-15-19/h6-7,9,13-16,22-24,26-27H,2-5,8,10-12H2,1H3,(H,33,34)(H,35,36)/t22-,23-,24+,26+,27-,30-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453710 (2-(9-Ethyl-6-fluoro-8-methyl-9H-carbazol-3-yl)-4-f...) Show SMILES CCn1c2ccc(cc2c2cc(F)cc(C)c12)-c1nc2c(F)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C26H23F2N3O3/c1-4-30-20-7-5-15(12-18(20)19-13-16(27)11-14(2)24(19)30)25-29-23-21(31(25)9-10-34-3)8-6-17(22(23)28)26(32)33/h5-8,11-13H,4,9-10H2,1-3H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453702 (2-(9-Ethyl-8-fluoro-6-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(F)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C27H26FN3O3/c1-5-30-22-8-6-17(14-19(22)20-12-15(2)13-21(28)25(20)30)26-29-24-16(3)18(27(32)33)7-9-23(24)31(26)10-11-34-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM258457 (US9512169, 11) Show SMILES CCC(Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(O)=O |r,c:15| Show InChI InChI=1S/C27H30FNO3/c1-3-25(26(30)31)32-19-5-7-20-16(13-19)4-6-22-21(20)10-11-27(2)23(8-9-24(22)27)17-12-18(28)15-29-14-17/h5,7-8,12-15,21-22,24-25H,3-4,6,9-11H2,1-2H3,(H,30,31)/t21-,22-,24+,25?,27-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.0	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...				US Patent US9512169 (2016) BindingDB Entry DOI: 10.7270/Q24B3081
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254842 (US9487554, 29) Show SMILES CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H32N2O3/c1-28-13-11-22-21-7-6-19(27(33)30(2)15-12-26(31)32)16-18(21)5-8-23(22)25(28)10-9-24(28)20-4-3-14-29-17-20/h3-4,6-7,9,14,16-17,22-23,25H,5,8,10-13,15H2,1-2H3,(H,31,32)/t22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM258456 (US9512169, 10) Show SMILES CC(Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(O)=O |r,c:14| Show InChI InChI=1S/C26H28FNO3/c1-15(25(29)30)31-19-4-6-20-16(12-19)3-5-22-21(20)9-10-26(2)23(7-8-24(22)26)17-11-18(27)14-28-13-17/h4,6-7,11-15,21-22,24H,3,5,8-10H2,1-2H3,(H,29,30)/t15?,21-,22-,24+,26-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.0	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...				US Patent US9512169 (2016) BindingDB Entry DOI: 10.7270/Q24B3081
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM453715 (2-(8-Chloro-9-ethyl-6-methyl-9H-carbazol-3-yl)-1-(...) Show SMILES CCn1c2ccc(cc2c2cc(C)cc(Cl)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O Show InChI InChI=1S/C27H26ClN3O3/c1-5-30-22-8-6-17(14-19(22)20-12-15(2)13-21(28)25(20)30)26-29-24-16(3)18(27(32)33)7-9-23(24)31(26)10-11-34-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description 5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to th...				US Patent US10730856 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QRT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM258459 (US9512169, 13) Show SMILES CC(Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CCc2c1)C(O)=O |r,c:14| Show InChI InChI=1S/C26H29NO3/c1-16(25(28)29)30-19-6-8-20-17(14-19)5-7-22-21(20)11-12-26(2)23(9-10-24(22)26)18-4-3-13-27-15-18/h3-4,6,8-9,13-16,21-22,24H,5,7,10-12H2,1-2H3,(H,28,29)/t16?,21-,22-,24+,26-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.0	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...				US Patent US9512169 (2016) BindingDB Entry DOI: 10.7270/Q24B3081
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414419 (N-[6-Methoxy-2-(tetrahydro-2H-pyran-4-yl)-2H-indaz...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCOCC1 Show InChI InChI=1S/C20H19F3N4O3/c1-29-17-10-15-12(11-27(26-15)13-5-7-30-8-6-13)9-16(17)25-19(28)14-3-2-4-18(24-14)20(21,22)23/h2-4,9-11,13H,5-8H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM390154 (US9951086, Example 46) Show SMILES CN1CCN(CC1)C(=O)Cn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(OCC3CC3)cc2n1 Show InChI InChI=1S/C25H27F3N6O3/c1-32-7-9-33(10-8-32)23(35)14-34-13-17-11-20(21(12-19(17)31-34)37-15-16-5-6-16)30-24(36)18-3-2-4-22(29-18)25(26,27)28/h2-4,11-13,16H,5-10,14-15H2,1H3,(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				Bioorg Med Chem Lett 17: 3972-7 (2007) BindingDB Entry DOI: 10.7270/Q2GQ713M
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414469 (N-[6-(2-Hydroxypropan-2-yl)-2-(piperidin-4-yl)-2H-...) Show SMILES CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C22H24F3N5O2/c1-21(2,32)15-11-17-13(12-30(29-17)14-6-8-26-9-7-14)10-18(15)28-20(31)16-4-3-5-19(27-16)22(23,24)25/h3-5,10-12,14,26,32H,6-9H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414457 (6-(2-Hydroxypropan-2-yl)-N-[6-methoxy-2-(tetrahydr...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(C)(C)O)C1CCOCC1 Show InChI InChI=1S/C22H26N4O4/c1-22(2,28)20-6-4-5-16(23-20)21(27)24-18-11-14-13-26(15-7-9-30-10-8-15)25-17(14)12-19(18)29-3/h4-6,11-13,15,28H,7-10H2,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414442 (N-[2-(1-Imino-1-oxidohexahydro-1λ4-thiopyran-...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CCS(=N)(=O)CC1 |r| Show InChI InChI=1S/C20H20F3N5O3S/c1-31-17-10-15-12(11-28(27-15)13-5-7-32(24,30)8-6-13)9-16(17)26-19(29)14-3-2-4-18(25-14)20(21,22)23/h2-4,9-11,13,24H,5-8H2,1H3,(H,26,29)/t13-,32?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414434 (N-[2-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-6-m...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H19F3N4O4S/c1-31-17-10-15-12(11-27(26-15)13-5-7-32(29,30)8-6-13)9-16(17)25-19(28)14-3-2-4-18(24-14)20(21,22)23/h2-4,9-11,13H,5-8H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM414433 (N-{6-Methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]-2H-...) Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C23H24F3N5O3/c1-33-20-10-18-14(11-31(29-18)15-5-7-30(8-6-15)16-12-34-13-16)9-19(20)28-22(32)17-3-2-4-21(27-17)23(24,25)26/h2-4,9-11,15-16H,5-8,12-13H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiegesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....				US Patent US10435396 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZMZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395296 (N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...) Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair

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