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Compile Data Set for Download or QSAR

Found 705 hits with Last Name = 'kohrt' and Initial = 'j'   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440252
PNG
(CHEMBL2426686)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
Show InChI InChI=1S/C26H30N6O2/c1-34-22-5-3-20(27-16-22)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-2-19-14-21(4-6-23(19)24)32-28-10-11-29-32/h3-6,10-11,14,16,24H,2,7-9,12-13,15,17-18H2,1H3/t24-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440255
PNG
(CHEMBL2426683)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r|
Show InChI InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3/t24-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386955
PNG
(CHEMBL2048820)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440261
PNG
(CHEMBL2426677)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440254
PNG
(CHEMBL2426684)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)cc1 |r|
Show InChI InChI=1S/C27H31N5O2/c1-34-23-6-2-20(3-7-23)16-26(33)30-14-10-27(11-15-30)18-31(19-27)25-9-4-21-17-22(5-8-24(21)25)32-28-12-13-29-32/h2-3,5-8,12-13,17,25H,4,9-11,14-16,18-19H2,1H3/t25-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440251
PNG
(CHEMBL2426687)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440253
PNG
(CHEMBL2426685)
Show SMILES CCc1cnc(nc1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1 |r|
Show InChI InChI=1S/C30H35N5O2/c1-3-21-16-32-29(33-17-21)23-4-8-26-22(14-23)5-9-27(26)35-19-30(20-35)10-12-34(13-11-30)28(36)15-24-6-7-25(37-2)18-31-24/h4,6-8,14,16-18,27H,3,5,9-13,15,19-20H2,1-2H3/t27-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440249
PNG
(CHEMBL2426689)
Show SMILES Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
Show InChI InChI=1S/C26H30N6O/c1-19-2-4-21(27-16-19)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-3-20-14-22(5-6-23(20)24)32-28-10-11-29-32/h2,4-6,10-11,14,16,24H,3,7-9,12-13,15,17-18H2,1H3/t24-/m1/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440250
PNG
(CHEMBL2426688)
Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H33N5O/c1-2-21-4-7-24(32-18-21)17-27(35)33-14-10-29(11-15-33)19-34(20-29)26-9-6-22-16-23(5-8-25(22)26)28-30-12-3-13-31-28/h3-5,7-8,12-13,16,18,26H,2,6,9-11,14-15,17,19-20H2,1H3/t26-/m1/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440247
PNG
(CHEMBL2426666)
Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
Show InChI InChI=1S/C27H32N6O/c1-2-20-3-5-22(28-17-20)16-26(34)31-13-9-27(10-14-31)18-32(19-27)25-8-4-21-15-23(6-7-24(21)25)33-29-11-12-30-33/h3,5-7,11-12,15,17,25H,2,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1
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16n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341309
PNG
(CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
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23n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440248
PNG
(CHEMBL2426667)
Show SMILES Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C28H31N5O/c1-20-3-6-23(31-17-20)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-5-21-15-22(4-7-24(21)25)27-29-11-2-12-30-27/h2-4,6-7,11-12,15,17,25H,5,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1
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28n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440259
PNG
(CHEMBL2426680)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)
BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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33n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005094
PNG
(CHEMBL2424680)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H](C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H35N5O2/c1-21(2)27(22-5-7-23(8-6-22)28-30-13-4-14-31-28)34-19-29(20-34)11-15-33(16-12-29)26(35)17-24-9-10-25(36-3)18-32-24/h4-10,13-14,18,21,27H,11-12,15-17,19-20H2,1-3H3/t27-/m1/s1
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48n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)
BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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125n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)
BDBM50341309
PNG
(CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
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140n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005095
PNG
(CHEMBL2426672)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)C(C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show InChI InChI=1S/C29H35N5O2/c1-21(2)27(22-5-7-23(8-6-22)28-30-13-4-14-31-28)34-19-29(20-34)11-15-33(16-12-29)26(35)17-24-9-10-25(36-3)18-32-24/h4-10,13-14,18,21,27H,11-12,15-17,19-20H2,1-3H3
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151n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50386955
PNG
(CHEMBL2048820)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3
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269n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor M2 (unknown origin)


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440260
PNG
(CHEMBL2426676)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m0/s1
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275n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440263
PNG
(CHEMBL2426679)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3/t25-/m0/s1
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407n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005342
PNG
(CHEMBL2426675)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)C3CCc4cc(ccc34)-c3ncccn3)CC2)cc1
Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3
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871n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005339
PNG
(CHEMBL2426681)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)C3CCc4cc(ccc34)-c3nccs3)CC2)nc1
Show InChI InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3
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871n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005096
PNG
(CHEMBL2426673)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H35N5O2/c1-21(2)27(22-5-7-23(8-6-22)28-30-13-4-14-31-28)34-19-29(20-34)11-15-33(16-12-29)26(35)17-24-9-10-25(36-3)18-32-24/h4-10,13-14,18,21,27H,11-12,15-17,19-20H2,1-3H3/t27-/m0/s1
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912n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440257
PNG
(CHEMBL2426669)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3/t20-/m0/s1
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1.12E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341312
PNG
((1R,5R,8R)-Isopropyl 8-(5-Methyl-6-(2-methylpyridi...)
Show SMILES CC(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@H]2Oc1ncnc(Oc2cccnc2C)c1C |r|
Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3/t15-,17-,18-/m1/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440260
PNG
(CHEMBL2426676)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440264
PNG
(CHEMBL2426682)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r|
Show InChI InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3/t24-/m0/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440264
PNG
(CHEMBL2426682)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r|
Show InChI InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3/t24-/m0/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341311
PNG
((+/-)-isopropyl 8-(5-methyl-6-(2-methylpyridin-3-y...)
Show SMILES CC(C)OC(=O)N1CC2COC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005341
PNG
(CHEMBL2426678)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)C3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3
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1.62E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50005343
PNG
(CHEMBL2426671)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)C(C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show InChI InChI=1S/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3
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1.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440262
PNG
(CHEMBL2426674)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-c4ncccn4)C3)CC2)cc1
Show InChI InChI=1S/C27H29ClN4O2/c1-34-23-7-3-20(4-8-23)15-25(33)32-13-9-27(10-14-32)18-31(19-27)17-22-6-5-21(16-24(22)28)26-29-11-2-12-30-26/h2-8,11-12,16H,9-10,13-15,17-19H2,1H3
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1.95E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440257
PNG
(CHEMBL2426669)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3/t20-/m0/s1
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2.24E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341313
PNG
((1S,5S,8S)-Isopropyl 8-(5-Methyl-6-(2-methylpyridi...)
Show SMILES CC(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@H]2Oc1ncnc(Oc2cccnc2C)c1C |r|
Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3/t15-,17-,18-/m0/s1
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2.27E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005343
PNG
(CHEMBL2426671)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)C(C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show InChI InChI=1S/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3
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2.40E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440256
PNG
(CHEMBL2426668)
Show SMILES COCC(N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C28H33N5O3/c1-35-18-25(21-4-6-22(7-5-21)27-29-12-3-13-30-27)33-19-28(20-33)10-14-32(15-11-28)26(34)16-23-8-9-24(36-2)17-31-23/h3-9,12-13,17,25H,10-11,14-16,18-20H2,1-2H3
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3.63E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440256
PNG
(CHEMBL2426668)
Show SMILES COCC(N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C28H33N5O3/c1-35-18-25(21-4-6-22(7-5-21)27-29-12-3-13-30-27)33-19-28(20-33)10-14-32(15-11-28)26(34)16-23-8-9-24(36-2)17-31-23/h3-9,12-13,17,25H,10-11,14-16,18-20H2,1-2H3
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7.08E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440261
PNG
(CHEMBL2426677)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1
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1.41E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440259
PNG
(CHEMBL2426680)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C28H31N5O2/c1-35-23-6-5-22(31-17-23)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-4-20-15-21(3-7-24(20)25)27-29-11-2-12-30-27/h2-3,5-7,11-12,15,17,25H,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1
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1.45E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440258
PNG
(CHEMBL2426670)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3/t20-/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50005096
PNG
(CHEMBL2426673)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H35N5O2/c1-21(2)27(22-5-7-23(8-6-22)28-30-13-4-14-31-28)34-19-29(20-34)11-15-33(16-12-29)26(35)17-24-9-10-25(36-3)18-32-24/h4-10,13-14,18,21,27H,11-12,15-17,19-20H2,1-3H3/t27-/m0/s1
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>2.09E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440249
PNG
(CHEMBL2426689)
Show SMILES Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
Show InChI InChI=1S/C26H30N6O/c1-19-2-4-21(27-16-19)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-3-20-14-22(5-6-23(20)24)32-28-10-11-29-32/h2,4-6,10-11,14,16,24H,3,7-9,12-13,15,17-18H2,1H3/t24-/m1/s1
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2.19E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440258
PNG
(CHEMBL2426670)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3/t20-/m1/s1
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2.51E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440247
PNG
(CHEMBL2426666)
Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
Show InChI InChI=1S/C27H32N6O/c1-2-20-3-5-22(28-17-20)16-26(34)31-13-9-27(10-14-31)18-32(19-27)25-8-4-21-15-23(6-7-24(21)25)33-29-11-12-30-33/h3,5-7,11-12,15,17,25H,2,4,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1
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>2.57E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440248
PNG
(CHEMBL2426667)
Show SMILES Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C28H31N5O/c1-20-3-6-23(31-17-20)16-26(34)32-13-9-28(10-14-32)18-33(19-28)25-8-5-21-15-22(4-7-24(21)25)27-29-11-2-12-30-27/h2-4,6-7,11-12,15,17,25H,5,8-10,13-14,16,18-19H2,1H3/t25-/m1/s1
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>2.75E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440250
PNG
(CHEMBL2426688)
Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H33N5O/c1-2-21-4-7-24(32-18-21)17-27(35)33-14-10-29(11-15-33)19-34(20-29)26-9-6-22-16-23(5-8-25(22)26)28-30-12-3-13-31-28/h3-5,7-8,12-13,16,18,26H,2,6,9-11,14-15,17,19-20H2,1H3/t26-/m1/s1
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2.82E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50005094
PNG
(CHEMBL2424680)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H](C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H35N5O2/c1-21(2)27(22-5-7-23(8-6-22)28-30-13-4-14-31-28)34-19-29(20-34)11-15-33(16-12-29)26(35)17-24-9-10-25(36-3)18-32-24/h4-10,13-14,18,21,27H,11-12,15-17,19-20H2,1-3H3/t27-/m1/s1
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>2.95E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
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