BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1004 hits with Last Name = 'dorsch' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Angiotensin II AT2


(RAT)
BDBM50041700
PNG
(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
300n/an/an/an/an/an/an/an/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
PNG
(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/an/a 0.0320n/an/an/an/an/an/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
PNG
(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/an/a 0.190n/an/an/an/an/an/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
PNG
(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/an/a 0.200n/an/an/an/an/an/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
PNG
(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/an/a 0.210n/an/an/an/an/an/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
PNG
(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/an/a 0.220n/an/an/an/an/an/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
PNG
(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/an/a 0.230n/an/an/an/an/an/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
PNG
(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/an/a 0.240n/an/an/an/an/an/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
PNG
(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/an/a 0.25n/an/an/an/an/an/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
PNG
(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/an/a 0.300n/an/an/an/an/an/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
PNG
(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/an/a 0.300n/an/an/an/an/an/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
PNG
(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/an/a 0.300n/an/an/an/an/an/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
PNG
(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/an/a 0.310n/an/an/an/an/an/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
PNG
(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/an/a 0.320n/an/an/an/an/an/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
PNG
(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/an/a 0.320n/an/an/an/an/an/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
PNG
(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/an/a 0.330n/an/an/an/an/an/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
PNG
(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/an/a 0.330n/an/an/an/an/an/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
PNG
(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/an/a 0.350n/an/an/an/an/an/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
PNG
(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/an/a 0.360n/an/an/an/an/an/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
PNG
(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/an/a 0.370n/an/an/an/an/an/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
PNG
(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/an/a 0.400n/an/an/an/an/an/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
PNG
(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/an/a 0.410n/an/an/an/an/an/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
PNG
(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/an/a 0.430n/an/an/an/an/an/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
PNG
(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/an/a 0.440n/an/an/an/an/an/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
PNG
(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/an/a 0.440n/an/an/an/an/an/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
PNG
(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/an/a 0.450n/an/an/an/an/an/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
PNG
(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/an/a 0.450n/an/an/an/an/an/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
PNG
(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/an/a 0.450n/an/an/an/an/an/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
PNG
(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/an/a 0.450n/an/an/an/an/an/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
PNG
(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/an/a 0.470n/an/an/an/an/an/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
PNG
(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/an/a 0.480n/an/an/an/an/an/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
PNG
(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/an/a 0.5n/an/an/an/an/an/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
PNG
(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/an/a 0.5n/an/an/an/an/an/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
PNG
(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/an/a 0.510n/an/an/an/an/an/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
PNG
(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/an/a 0.520n/an/an/an/an/an/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
PNG
(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/an/a 0.530n/an/an/an/an/an/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
PNG
(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/an/a 0.550n/an/an/an/an/an/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
PNG
(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/an/a 0.560n/an/an/an/an/an/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
PNG
(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/an/a 0.570n/an/an/an/an/an/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
PNG
(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/an/a 0.570n/an/an/an/an/an/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
PNG
(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/an/a 0.580n/an/an/an/an/an/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
PNG
(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/an/a 0.580n/an/an/an/an/an/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
PNG
(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/an/a 0.580n/an/an/an/an/an/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
PNG
(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/an/a 0.590n/an/an/an/an/an/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
PNG
(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/an/a 0.590n/an/an/an/an/an/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
PNG
(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/an/a 0.610n/an/an/an/an/an/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
PNG
(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/an/a 0.610n/an/an/an/an/an/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
PNG
(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/an/a 0.620n/an/an/an/an/an/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
PNG
(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/an/a 0.630n/an/an/an/an/an/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
PNG
(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/an/a 0.650n/an/an/an/an/an/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
Displayed 1 to 50 (of 1004 total )  |  Next  |  Last  >>
Jump to: