Compile Data Set for Download or QSAR

Found 1004 hits with Last Name = 'dorsch' and Initial = 'd'   

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
Angiotensin II AT2 (RAT)	BDBM50041700 (2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2ccn(CC(=O)N(c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C38H34N8O2/c1-2-3-18-34-39-33-23-24-44(26-35(47)46(29-12-6-4-7-13-29)30-14-8-5-9-15-30)38(48)36(33)45(34)25-27-19-21-28(22-20-27)31-16-10-11-17-32(31)37-40-42-43-41-37/h4-17,19-24H,2-3,18,25-26H2,1H3,(H,40,41,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against angiotensin II receptor type 2 (AT2) of rat adrenal medulla.				J Med Chem 37: 1632-45 (1994) Article DOI: 10.1021/jm00037a014 BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50070888 (CHEMBL298725 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1F)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H23FN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) Article DOI: 10.1016/s0960-894x(98)00301-1 BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435386 (US10570116, Compound C2) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H27N5O3/c1-15(11-20-25-19-6-4-3-5-18(19)23(31)26-20)12-21(29)28-9-7-16(8-10-28)22(30)17-13-24-27(2)14-17/h3-6,13-16H,7-12H2,1-2H3,(H,25,26,31)/t15-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435395 (US10570116, Compound C6) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H28FN5O3/c1-14(8-20-27-22-15(2)10-18(25)11-19(22)24(33)28-20)9-21(31)30-6-4-16(5-7-30)23(32)17-12-26-29(3)13-17/h10-14,16H,4-9H2,1-3H3,(H,27,28,33)/t14-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435441 (US10570116, Compound C49) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H30N4O3/c1-25(2,13-20-12-18-6-4-5-7-21(18)24(32)27-20)14-22(30)29-10-8-17(9-11-29)23(31)19-15-26-28(3)16-19/h4-7,12,15-17H,8-11,13-14H2,1-3H3,(H,27,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435439 (US10570116, Compound C47) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H28FN3O5/c1-15(10-22-29-24-16(2)12-20(28)14-21(24)26(34)30-22)11-23(32)31-8-6-17(7-9-31)25(33)18-4-3-5-19(13-18)27(35)36/h3-5,12-15,17H,6-11H2,1-2H3,(H,35,36)(H,29,30,34)/t15-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435435 (US10570116, Compound C43) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)C[C@@H](C)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-17(14-23-29-25-18(2)6-4-9-22(25)27(34)30-23)15-24(32)31-12-10-19(11-13-31)26(33)20-7-5-8-21(16-20)28(35)36-3/h4-9,16-17,19H,10-15H2,1-3H3,(H,29,30,34)/t17-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435442 (US10570116, Compound C50) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H28N4O3/c1-16(11-20-13-18-5-3-4-6-21(18)24(31)26-20)12-22(29)28-9-7-17(8-10-28)23(30)19-14-25-27(2)15-19/h3-6,13-17H,7-12H2,1-2H3,(H,26,31)/t16-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435444 (US10570116, Compound C52) Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H30N2O5/c1-28(2,16-22-15-21-5-3-4-6-23(21)26(33)29-22)17-24(31)30-13-11-19(12-14-30)25(32)18-7-9-20(10-8-18)27(34)35/h3-10,15,19H,11-14,16-17H2,1-2H3,(H,29,33)(H,34,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50069575 (3-Benzo[1,2,5]thiadiazol-5-yl-5-hydroxy-5-(4-metho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H24N2O7S/c1-32-18-8-6-17(7-9-18)27(31)19(11-15-12-22(33-2)25(35-4)23(13-15)34-3)24(26(30)36-27)16-5-10-20-21(14-16)29-37-28-20/h5-10,12-14,31H,11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) Article DOI: 10.1016/s0960-894x(97)10151-2 BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50070884 (CHEMBL48907 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H24N2O7S/c1-33-18-8-5-16(6-9-18)25(30)19(11-15-12-22(34-2)26(36-4)23(13-15)35-3)24(27(31)32)17-7-10-20-21(14-17)29-37-28-20/h5-10,12-14H,11H2,1-4H3,(H,31,32)/p-1/b24-19-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) Article DOI: 10.1016/s0960-894x(98)00301-1 BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435441 (US10570116, Compound C49) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H30N4O3/c1-25(2,13-20-12-18-6-4-5-7-21(18)24(32)27-20)14-22(30)29-10-8-17(9-11-29)23(31)19-15-26-28(3)16-19/h4-7,12,15-17H,8-11,13-14H2,1-3H3,(H,27,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435395 (US10570116, Compound C6) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H28FN5O3/c1-14(8-20-27-22-15(2)10-18(25)11-19(22)24(33)28-20)9-21(31)30-6-4-16(5-7-30)23(32)17-12-26-29(3)13-17/h10-14,16H,4-9H2,1-3H3,(H,27,28,33)/t14-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435430 (US10570116, Compound C38) Show SMILES COC(=O)c1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C29H33N3O5/c1-18-15-20(9-10-21(18)28(36)37-4)26(34)19-11-13-32(14-12-19)25(33)17-29(2,3)16-24-30-23-8-6-5-7-22(23)27(35)31-24/h5-10,15,19H,11-14,16-17H2,1-4H3,(H,30,31,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435386 (US10570116, Compound C2) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H27N5O3/c1-15(11-20-25-19-6-4-3-5-18(19)23(31)26-20)12-21(29)28-9-7-16(8-10-28)22(30)17-13-24-27(2)14-17/h3-6,13-16H,7-12H2,1-2H3,(H,25,26,31)/t15-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435444 (US10570116, Compound C52) Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H30N2O5/c1-28(2,16-22-15-21-5-3-4-6-23(21)26(33)29-22)17-24(31)30-13-11-19(12-14-30)25(32)18-7-9-20(10-8-18)27(34)35/h3-10,15,19H,11-14,16-17H2,1-2H3,(H,29,33)(H,34,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435409 (US10570116, Compound C17) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C23H30N6O3/c1-23(2,11-18-25-21-17(22(32)26-18)7-8-27(21)3)12-19(30)29-9-5-15(6-10-29)20(31)16-13-24-28(4)14-16/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,25,26,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435439 (US10570116, Compound C47) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H28FN3O5/c1-15(10-22-29-24-16(2)12-20(28)14-21(24)26(34)30-22)11-23(32)31-8-6-17(7-9-31)25(33)18-4-3-5-19(13-18)27(35)36/h3-5,12-15,17H,6-11H2,1-2H3,(H,35,36)(H,29,30,34)/t15-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435410 (US10570116, Compound C18) Show SMILES CCn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C24H32N6O3/c1-5-30-15-17(14-25-30)21(32)16-6-10-29(11-7-16)20(31)13-24(2,3)12-19-26-22-18(23(33)27-19)8-9-28(22)4/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,26,27,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435384 (US10570116, Compound C1) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H29N5O3/c1-24(2,12-20-26-19-7-5-4-6-18(19)23(32)27-20)13-21(30)29-10-8-16(9-11-29)22(31)17-14-25-28(3)15-17/h4-7,14-16H,8-13H2,1-3H3,(H,26,27,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435403 (US10570116, Compound C11) Show SMILES CC(C)C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H33N5O3/c1-17(2)12-18(13-23-28-22-7-5-4-6-21(22)26(34)29-23)14-24(32)31-10-8-19(9-11-31)25(33)20-15-27-30(3)16-20/h4-7,15-19H,8-14H2,1-3H3,(H,28,29,34)/t18-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435408 (US10570116, Compound C16) Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O4/c1-25(2,13-19-27-23-18(24(33)28-19)9-10-29(23)3)14-21(31)30-11-7-16(8-12-30)22(32)17-5-6-20(34-4)26-15-17/h5-6,9-10,15-16H,7-8,11-14H2,1-4H3,(H,27,28,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435431 (US10570116, Compound C39) Show SMILES Cc1cc(ccc1C(O)=O)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-17-14-19(8-9-20(17)27(35)36)25(33)18-10-12-31(13-11-18)24(32)16-28(2,3)15-23-29-22-7-5-4-6-21(22)26(34)30-23/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,35,36)(H,29,30,34)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) Article DOI: 10.1016/s0960-894x(97)10151-2 BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435442 (US10570116, Compound C50) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H28N4O3/c1-16(11-20-13-18-5-3-4-6-21(18)24(31)26-20)12-22(29)28-9-7-17(8-10-28)23(30)19-14-25-27(2)15-19/h3-6,13-17H,7-12H2,1-2H3,(H,26,31)/t16-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435425 (US10570116, Compound C33) Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C27H29N3O5/c1-27(2,15-22-28-21-6-4-3-5-20(21)25(33)29-22)16-23(31)30-13-11-18(12-14-30)24(32)17-7-9-19(10-8-17)26(34)35/h3-10,18H,11-16H2,1-2H3,(H,34,35)(H,28,29,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435437 (US10570116, Compound C45) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C27H29N3O5/c1-16(13-22-28-24-17(2)5-3-8-21(24)26(33)29-22)14-23(31)30-11-9-18(10-12-30)25(32)19-6-4-7-20(15-19)27(34)35/h3-8,15-16,18H,9-14H2,1-2H3,(H,34,35)(H,28,29,33)/t16-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435434 (US10570116, Compound C42) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)C[C@H](C)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-17(14-23-29-25-18(2)6-4-9-22(25)27(34)30-23)15-24(32)31-12-10-19(11-13-31)26(33)20-7-5-8-21(16-20)28(35)36-3/h4-9,16-17,19H,10-15H2,1-3H3,(H,29,30,34)/t17-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435393 (US10570116, Compound C4) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(c1)C(C)C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O3/c1-16(2)30-15-19(14-26-30)24(32)18-8-10-29(11-9-18)23(31)13-17(3)12-22-27-21-7-5-4-6-20(21)25(33)28-22/h4-7,14-18H,8-13H2,1-3H3,(H,27,28,33)/t17-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435409 (US10570116, Compound C17) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C23H30N6O3/c1-23(2,11-18-25-21-17(22(32)26-18)7-8-27(21)3)12-19(30)29-9-5-15(6-10-29)20(31)16-13-24-28(4)14-16/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,25,26,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435426 (US10570116, Compound C34) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-28(2,16-23-29-22-10-5-4-9-21(22)26(34)30-23)17-24(32)31-13-11-18(12-14-31)25(33)19-7-6-8-20(15-19)27(35)36-3/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,29,30,34)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435399 (US10570116, Compound C8) Show SMILES CC(C)[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O3/c1-16(2)18(12-22-27-21-7-5-4-6-20(21)25(33)28-22)13-23(31)30-10-8-17(9-11-30)24(32)19-14-26-29(3)15-19/h4-7,14-18H,8-13H2,1-3H3,(H,27,28,33)/t18-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435426 (US10570116, Compound C34) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-28(2,16-23-29-22-10-5-4-9-21(22)26(34)30-23)17-24(32)31-13-11-18(12-14-31)25(33)19-7-6-8-20(15-19)27(35)36-3/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,29,30,34)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435425 (US10570116, Compound C33) Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C27H29N3O5/c1-27(2,15-22-28-21-6-4-3-5-20(21)25(33)29-22)16-23(31)30-13-11-18(12-14-30)24(32)17-7-9-19(10-8-17)26(34)35/h3-10,18H,11-16H2,1-2H3,(H,34,35)(H,28,29,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435403 (US10570116, Compound C11) Show SMILES CC(C)C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H33N5O3/c1-17(2)12-18(13-23-28-22-7-5-4-6-21(22)26(34)29-23)14-24(32)31-10-8-19(9-11-31)25(33)20-15-27-30(3)16-20/h4-7,15-19H,8-14H2,1-3H3,(H,28,29,34)/t18-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435399 (US10570116, Compound C8) Show SMILES CC(C)[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O3/c1-16(2)18(12-22-27-21-7-5-4-6-20(21)25(33)28-22)13-23(31)30-10-8-17(9-11-30)24(32)19-14-26-29(3)15-19/h4-7,14-18H,8-13H2,1-3H3,(H,27,28,33)/t18-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435437 (US10570116, Compound C45) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C27H29N3O5/c1-16(13-22-28-24-17(2)5-3-8-21(24)26(33)29-22)14-23(31)30-11-9-18(10-12-30)25(32)19-6-4-7-20(15-19)27(34)35/h3-8,15-16,18H,9-14H2,1-2H3,(H,34,35)(H,28,29,33)/t16-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435424 (US10570116, Compound C32) Show SMILES COC(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-28(2,16-23-29-22-7-5-4-6-21(22)26(34)30-23)17-24(32)31-14-12-19(13-15-31)25(33)18-8-10-20(11-9-18)27(35)36-3/h4-11,19H,12-17H2,1-3H3,(H,29,30,34)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435422 (US10570116, Compound C30) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N(C)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H28N4O4/c1-28(14-13-22-26-21-6-4-3-5-20(21)24(31)27-22)25(32)29-15-11-18(12-16-29)23(30)17-7-9-19(33-2)10-8-17/h3-10,18H,11-16H2,1-2H3,(H,26,27,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435384 (US10570116, Compound C1) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H29N5O3/c1-24(2,12-20-26-19-7-5-4-6-18(19)23(32)27-20)13-21(30)29-10-8-16(9-11-29)22(31)17-14-25-28(3)15-17/h4-7,14-16H,8-13H2,1-3H3,(H,26,27,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435430 (US10570116, Compound C38) Show SMILES COC(=O)c1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C29H33N3O5/c1-18-15-20(9-10-21(18)28(36)37-4)26(34)19-11-13-32(14-12-19)25(33)17-29(2,3)16-24-30-23-8-6-5-7-22(23)27(35)31-24/h5-10,15,19H,11-14,16-17H2,1-4H3,(H,30,31,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435411 (US10570116, Compound C19) Show SMILES CC(C)n1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C25H34N6O3/c1-16(2)31-15-18(14-26-31)22(33)17-6-10-30(11-7-17)21(32)13-25(3,4)12-20-27-23-19(24(34)28-20)8-9-29(23)5/h8-9,14-17H,6-7,10-13H2,1-5H3,(H,27,28,34)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435410 (US10570116, Compound C18) Show SMILES CCn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C24H32N6O3/c1-5-30-15-17(14-25-30)21(32)16-6-10-29(11-7-16)20(31)13-24(2,3)12-19-26-22-18(23(33)27-19)8-9-28(22)4/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,26,27,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435396 (US10570116, Compound C7) Show SMILES C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H28FN5O3/c1-14(8-20-27-22-15(2)10-18(25)11-19(22)24(33)28-20)9-21(31)30-6-4-16(5-7-30)23(32)17-12-26-29(3)13-17/h10-14,16H,4-9H2,1-3H3,(H,27,28,33)/t14-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435433 (US10570116, Compound C41) Show SMILES Cc1cc(ccc1C(O)=O)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C29H33N3O5/c1-17-6-5-7-22-25(17)30-23(31-27(22)35)15-29(3,4)16-24(33)32-12-10-19(11-13-32)26(34)20-8-9-21(28(36)37)18(2)14-20/h5-9,14,19H,10-13,15-16H2,1-4H3,(H,36,37)(H,30,31,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435408 (US10570116, Compound C16) Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O4/c1-25(2,13-19-27-23-18(24(33)28-19)9-10-29(23)3)14-21(31)30-11-7-16(8-12-30)22(32)17-5-6-20(34-4)26-15-17/h5-6,9-10,15-16H,7-8,11-14H2,1-4H3,(H,27,28,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435431 (US10570116, Compound C39) Show SMILES Cc1cc(ccc1C(O)=O)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-17-14-19(8-9-20(17)27(35)36)25(33)18-10-12-31(13-11-18)24(32)16-28(2,3)15-23-29-22-7-5-4-6-21(22)26(34)30-23/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,35,36)(H,29,30,34)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM435422 (US10570116, Compound C30) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N(C)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H28N4O4/c1-28(14-13-22-26-21-6-4-3-5-20(21)24(31)27-22)25(32)29-15-11-18(12-16-29)23(30)17-7-9-19(33-2)10-8-17/h3-10,18H,11-16H2,1-2H3,(H,26,27,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM435435 (US10570116, Compound C43) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)C[C@@H](C)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-17(14-23-29-25-18(2)6-4-9-22(25)27(34)30-23)15-24(32)31-12-10-19(11-13-31)26(33)20-7-5-8-21(16-20)28(35)36-3/h4-9,16-17,19H,10-15H2,1-3H3,(H,29,30,34)/t17-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Angiotensin II AT1B (RAT)	BDBM50285171 (2-{2,6-Dioxo-4-propyl-3-[2'-(1H-tetrazol-5-yl)-bip...) Show SMILES CCCc1cc(=O)n(CC(=O)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H27N7O3/c1-4-7-19-14-22(33)32(16-23(34)30(2)3)25(35)31(19)15-17-10-12-18(13-11-17)20-8-5-6-9-21(20)24-26-28-29-27-24/h5-6,8-14H,4,7,15-16H2,1-3H3,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for binding affinity against angiotensin II receptor in rat adrenal cortex				Bioorg Med Chem Lett 5: 2071-2076 (1995) Article DOI: 10.1016/0960-894X(95)00370-9 BindingDB Entry DOI: 10.7270/Q2SF2W4J
					More data for this Ligand-Target Pair

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