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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 494.6
BDBM50359264
Wt: 458.6
BDBM50359240
Wt: 472.6
BDBM50359241
Wt: 470.6
BDBM50359242
Wt: 506.6
BDBM50359243
Wt: 494.6
BDBM50359271
Wt: 494.6
BDBM50359272
Wt: 482.5
BDBM50359273
Wt: 492.6
BDBM50359255
Wt: 460.6
BDBM50359277
Wt: 434.5
BDBM50359278
Wt: 476.5
BDBM50359279
Wt: 461.5
BDBM50359280
Wt: 494.6
BDBM50359257
Wt: 506.6
BDBM50359259
Displayed 1 to 15 (of 52 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 20 hits in this display   
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
Appetite-regulating hormone


(Homo sapiens)
BDBM50359259
PNG
(CHEMBL1923610)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC1=O)C1CC1
Show InChI InChI=1S/C29H38N4O4/c1-20-27(34)32-24(19-21-9-4-3-5-10-21)28(35)31-16-8-12-22-11-6-7-13-25(22)37-18-17-30-26(23-14-15-23)29(36)33(20)2/h3-7,9-11,13,20,23-24,26,30H,8,12,14-19H2,1-2H3,(H,31,35)(H,32,34)/t20-,24-,26+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359257
PNG
(CHEMBL1923504)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C28H38N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-8,11-13,15,23-24,29H,3,9-10,14,16-20H2,1-2H3,(H,30,34)(H,31,33)/t23-,24+/m0/s1
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68n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359255
PNG
(CHEMBL1923501)
Show SMILES CCC[C@@H]1NCCOc2ccccc2\C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C28H36N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-9,11-15,23-24,29H,3,10,16-20H2,1-2H3,(H,30,34)(H,31,33)/b14-9+/t23-,24+/m0/s1
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86n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359242
PNG
(CHEMBL1923632)
Show SMILES CC[C@H](C)[C@@H]1NCCCC\C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
Show InChI InChI=1S/C27H42N4O3/c1-5-20(2)24-27(34)31(4)21(3)25(32)30-23(19-22-15-11-10-12-16-22)26(33)29-18-14-9-7-6-8-13-17-28-24/h7,9-12,15-16,20-21,23-24,28H,5-6,8,13-14,17-19H2,1-4H3,(H,29,33)(H,30,32)/b9-7+/t20-,21+,23+,24-/m0/s1
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160n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359272
PNG
(CHEMBL1923506)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C28H38N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-8,11-13,15,23-24,29H,3,9-10,14,16-20H2,1-2H3,(H,30,34)(H,31,33)/t23-,24-/m0/s1
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380n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359243
PNG
(CHEMBL1923633)
Show SMILES CC[C@H](C)[C@@H]1NCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
Show InChI InChI=1S/C30H42N4O3/c1-5-21(2)27-30(37)34(4)22(3)28(35)33-26(20-23-12-7-6-8-13-23)29(36)32-19-17-25-15-10-9-14-24(25)16-11-18-31-27/h6-10,12-15,21-22,26-27,31H,5,11,16-20H2,1-4H3,(H,32,36)(H,33,35)/t21-,22+,26+,27-/m0/s1
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400n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359277
PNG
(CHEMBL1923511)
Show SMILES CCCC[C@H]1NC(=O)CN(C)C(=O)[C@H](CCC)NCCOc2ccccc2CCCNC1=O
Show InChI InChI=1S/C25H40N4O4/c1-4-6-13-20-24(31)27-15-9-12-19-11-7-8-14-22(19)33-17-16-26-21(10-5-2)25(32)29(3)18-23(30)28-20/h7-8,11,14,20-21,26H,4-6,9-10,12-13,15-18H2,1-3H3,(H,27,31)(H,28,30)/t20-,21+/m1/s1
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400n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359264
PNG
(CHEMBL1923613)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C28H38N4O4/c1-3-10-23-28(35)31-20(2)26(33)32-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-8,11-13,15,20,23-24,29H,3,9-10,14,16-19H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)/t20-,23+,24-/m1/s1
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500n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359271
PNG
(CHEMBL1923505)
Show SMILES CCC[C@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C28H38N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-8,11-13,15,23-24,29H,3,9-10,14,16-20H2,1-2H3,(H,30,34)(H,31,33)/t23-,24-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359241
PNG
(CHEMBL1923631)
Show SMILES CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
Show InChI InChI=1S/C27H44N4O3/c1-5-20(2)24-27(34)31(4)21(3)25(32)30-23(19-22-15-11-10-12-16-22)26(33)29-18-14-9-7-6-8-13-17-28-24/h10-12,15-16,20-21,23-24,28H,5-9,13-14,17-19H2,1-4H3,(H,29,33)(H,30,32)/t20-,21+,23+,24-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359240
PNG
(CHEMBL1923630)
Show SMILES CC[C@H](C)[C@@H]1NCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
Show InChI InChI=1S/C26H42N4O3/c1-5-19(2)23-26(33)30(4)20(3)24(31)29-22(18-21-14-10-9-11-15-21)25(32)28-17-13-8-6-7-12-16-27-23/h9-11,14-15,19-20,22-23,27H,5-8,12-13,16-18H2,1-4H3,(H,28,32)(H,29,31)/t19-,20+,22+,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359280
PNG
(CHEMBL1923607)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCCN)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C24H39N5O4/c1-3-8-20-24(32)29(2)17-22(30)28-19(11-6-13-25)23(31)27-14-7-10-18-9-4-5-12-21(18)33-16-15-26-20/h4-5,9,12,19-20,26H,3,6-8,10-11,13-17,25H2,1-2H3,(H,27,31)(H,28,30)/t19-,20+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359279
PNG
(CHEMBL1923514)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCC(O)=O)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C24H36N4O6/c1-3-7-19-24(33)28(2)16-21(29)27-18(11-12-22(30)31)23(32)26-13-6-9-17-8-4-5-10-20(17)34-15-14-25-19/h4-5,8,10,18-19,25H,3,6-7,9,11-16H2,1-2H3,(H,26,32)(H,27,29)(H,30,31)/t18-,19+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359278
PNG
(CHEMBL1923513)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CO)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C22H34N4O5/c1-3-7-17-22(30)26(2)14-20(28)25-18(15-27)21(29)24-11-6-9-16-8-4-5-10-19(16)31-13-12-23-17/h4-5,8,10,17-18,23,27H,3,6-7,9,11-15H2,1-2H3,(H,24,29)(H,25,28)/t17-,18+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359273
PNG
(CHEMBL1923507)
Show SMILES CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CO)C1=O
Show InChI InChI=1S/C26H34N4O5/c1-30-17-24(32)29-21(16-19-8-3-2-4-9-19)25(33)28-13-7-11-20-10-5-6-12-23(20)35-15-14-27-22(18-31)26(30)34/h2-6,8-10,12,21-22,27,31H,7,11,13-18H2,1H3,(H,28,33)(H,29,32)/t21-,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359257
PNG
(CHEMBL1923504)
Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C28H38N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-8,11-13,15,23-24,29H,3,9-10,14,16-20H2,1-2H3,(H,30,34)(H,31,33)/t23-,24+/m0/s1
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n/an/an/an/a 83n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359255
PNG
(CHEMBL1923501)
Show SMILES CCC[C@@H]1NCCOc2ccccc2\C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C28H36N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-9,11-15,23-24,29H,3,10,16-20H2,1-2H3,(H,30,34)(H,31,33)/b14-9+/t23-,24+/m0/s1
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n/an/an/an/a 134n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359259
PNG
(CHEMBL1923610)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC1=O)C1CC1
Show InChI InChI=1S/C29H38N4O4/c1-20-27(34)32-24(19-21-9-4-3-5-10-21)28(35)31-16-8-12-22-11-6-7-13-25(22)37-18-17-30-26(23-14-15-23)29(36)33(20)2/h3-7,9-11,13,20,23-24,26,30H,8,12,14-19H2,1-2H3,(H,31,35)(H,32,34)/t20-,24-,26+/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359242
PNG
(CHEMBL1923632)
Show SMILES CC[C@H](C)[C@@H]1NCCCC\C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
Show InChI InChI=1S/C27H42N4O3/c1-5-20(2)24-27(34)31(4)21(3)25(32)30-23(19-22-15-11-10-12-16-22)26(33)29-18-14-9-7-6-8-13-17-28-24/h7,9-12,15-16,20-21,23-24,28H,5-6,8,13-14,17-19H2,1-4H3,(H,29,33)(H,30,32)/b9-7+/t20-,21+,23+,24-/m0/s1
KEGG

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n/an/an/an/a 310n/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay


J Med Chem 54: 8305-20 (2011)


Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50359255
PNG
(CHEMBL1923501)
Show SMILES CCC[C@@H]1NCCOc2ccccc2\C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
Show InChI InChI=1S/C28H36N4O4/c1-3-10-23-28(35)32(2)20-26(33)31-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-9,11-15,23-24,29H,3,10,16-20H2,1-2H3,(H,30,34)(H,31,33)/b14-9+/t23-,24+/m0/s1
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KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/an/a 68n/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at ghrelin receptor by cell based assay


J Med Chem 54: 1961-2004 (2011)


Article DOI: 10.1021/jm1012374
BindingDB Entry DOI: 10.7270/Q28C9XDV
More data for this
Ligand-Target Pair