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9 similar compounds to monomer 50005094

Compile data set for download or QSAR
Wt: 485.6
BDBM50005095
Wt: 457.5
BDBM50005343
Wt: 469.5
BDBM50005341
Wt: 485.6
BDBM50005096
Wt: 487.5
BDBM50440256
Wt: 457.5
BDBM50440257
Wt: 457.5
BDBM50440258
Wt: 469.5
BDBM50440259
Wt: 469.5
BDBM50440263

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50005095,50005343,50005341,50005096,50440256,50440257,50440258,50440259,50440263   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440259
PNG
(CHEMBL2426680)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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-/s2
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b...


ACS Med Chem Lett 5: 474-9 (2014)


Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3
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
Show InChI InChI=1/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-/s2
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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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440259
PNG
(CHEMBL2426680)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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-/s2
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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 ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay


ACS Med Chem Lett 5: 474-9 (2014)


Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3
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=1/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))
BDBM50440263
PNG
(CHEMBL2426679)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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-/s2
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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))
BDBM50005096
PNG
(CHEMBL2426673)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
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=1/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=1/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))
BDBM50440257
PNG
(CHEMBL2426669)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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-/s2
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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
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=1/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=1/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=1/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))
BDBM50440259
PNG
(CHEMBL2426680)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50440258
PNG
(CHEMBL2426670)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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-/s2
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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
Ghrelin receptor


(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=1/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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>3.02E+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))
BDBM50005341
PNG
(CHEMBL2426678)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)C3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 37n/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))
BDBM50440263
PNG
(CHEMBL2426679)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
Show InChI InChI=1/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-/s2
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UniProtKB/SwissProt

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PC cid
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Article
PubMed
n/an/a 1.10E+3n/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