BindingDB logo
myBDB logout

There are 23 purchasable compounds for target: GHRP

Compile data set for download or QSAR
Wt: 528.6
BDBM50049478
Purchase
Wt: 873.0
BDBM50049479
Purchase
Wt: 528.6
BDBM50066816
Purchase
Wt: 505.6
BDBM50083974
Purchase
Wt: 518.6
BDBM50151157
Wt: 530.7
BDBM50151164
Wt: 532.6
BDBM50151167
Wt: 550.7
BDBM50151170
Wt: 418.3
BDBM50153535
Purchase
Wt: 349.4
BDBM50161047
Purchase
Wt: 430.3
BDBM50161050
Purchase
Wt: 383.8
BDBM50161051
Purchase
Wt: 409.4
BDBM50222869
Purchase
Wt: 1516.8
BDBM50260268
Wt: 424.5
BDBM50292978
Purchase
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50049478,50049479,50066816,50083974,50151157,50151164,50151167,50151170,50153535,50161047,50161050,50161051,50222869,50260268,50292978   
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))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding Affinity of the compound against Growth hormone secretagogue receptor of swine using [35S]-MK-0677 as radioligand


J Med Chem 39: 1767-70 (1996)


Article DOI: 10.1021/jm960054c
BindingDB Entry DOI: 10.7270/Q2BK1BDG
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50222869
PNG
(6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C24H28FN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049479
PNG
((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)/t27-,34-,37-,38+,39+,40-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding Affinity of the compound against Growth hormone secretagogue receptor of swine using [35S]-MK-0677 as radioligand


J Med Chem 39: 1767-70 (1996)


Article DOI: 10.1021/jm960054c
BindingDB Entry DOI: 10.7270/Q2BK1BDG
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00734-5
BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
65.8n/an/an/an/an/an/an/an/a



Université Montpellier 1



Assay Description
Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...


J Biol Chem 288: 24656-65 (2013)


Article DOI: 10.1074/jbc.M113.453423
BindingDB Entry DOI: 10.7270/Q2F18XKT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50151167
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid [cyclohexylc...)
Show SMILES CCN(CC)CCCN(C(C(=O)NC1CCCCC1)c1ccc(F)cc1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1/C32H41FN4O2/c1-3-36(4-2)22-11-23-37(32(39)29-21-20-28(35-29)24-12-7-5-8-13-24)30(25-16-18-26(33)19-17-25)31(38)34-27-14-9-6-10-15-27/h5,7-8,12-13,16-21,27,30,35H,3-4,6,9-11,14-15,22-23H2,1-2H3,(H,34,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.29E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin


J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50151164
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid [cyclohexylc...)
Show SMILES CCN(CC)CCCN(C(C(=O)NC1CCCCC1)c1ccc(O)cc1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1/C32H42N4O3/c1-3-35(4-2)22-11-23-36(32(39)29-21-20-28(34-29)24-12-7-5-8-13-24)30(25-16-18-27(37)19-17-25)31(38)33-26-14-9-6-10-15-26/h5,7-8,12-13,16-21,26,30,34,37H,3-4,6,9-11,14-15,22-23H2,1-2H3,(H,33,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.32E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin


J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50151157
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid [cyclohexylc...)
Show SMILES CCN(CC)CCN(C(C(=O)NC1CCCCC1)c1ccc(F)cc1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1/C31H39FN4O2/c1-3-35(4-2)21-22-36(31(38)28-20-19-27(34-28)23-11-7-5-8-12-23)29(24-15-17-25(32)18-16-24)30(37)33-26-13-9-6-10-14-26/h5,7-8,11-12,15-20,26,29,34H,3-4,6,9-10,13-14,21-22H2,1-2H3,(H,33,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.37E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin


J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50151170
PNG
(CHEMBL185887 | N-[Cyclohexylcarbamoyl-(4-fluoro-ph...)
Show SMILES CCN(CC)CCCN(C(C(=O)NC1CCCCC1)c1ccc(F)cc1)C(=O)CCN1CCCc2ccccc12
Show InChI InChI=1/C33H47FN4O2/c1-3-36(4-2)22-11-24-38(31(39)21-25-37-23-10-13-26-12-8-9-16-30(26)37)32(27-17-19-28(34)20-18-27)33(40)35-29-14-6-5-7-15-29/h8-9,12,16-20,29,32H,3-7,10-11,13-15,21-25H2,1-2H3,(H,35,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.03E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin


J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50161051
PNG
(3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxyli...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H22ClN3O2/c1-4-25(5-2)16-12-10-15(11-13-16)23-21(26)19-14(3)27-24-20(19)17-8-6-7-9-18(17)22/h6-13H,4-5H2,1-3H3,(H,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ghrelin-induced increase of intracellular [Ca2+] in CHO¿K cell FLIPR assay


Bioorg Med Chem Lett 15: 1201-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.075
BindingDB Entry DOI: 10.7270/Q24Q7THD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50161047
PNG
(5-Methyl-3-phenyl-isoxazole-4-carboxylic acid (4-d...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1
Show InChI InChI=1S/C21H23N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-21(25)19-15(3)26-23-20(19)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ghrelin-induced increase of intracellular [Ca2+] in CHO¿K cell FLIPR assay


Bioorg Med Chem Lett 15: 1201-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.075
BindingDB Entry DOI: 10.7270/Q24Q7THD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50153535
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H21Cl2N3O2/c1-4-26(5-2)15-11-9-14(10-12-15)24-21(27)18-13(3)28-25-20(18)19-16(22)7-6-8-17(19)23/h6-12H,4-5H2,1-3H3,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to human growth hormone secretagogue receptor


Bioorg Med Chem Lett 15: 1201-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.075
BindingDB Entry DOI: 10.7270/Q24Q7THD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50153535
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H21Cl2N3O2/c1-4-26(5-2)15-11-9-14(10-12-15)24-21(27)18-13(3)28-25-20(18)19-16(22)7-6-8-17(19)23/h6-12H,4-5H2,1-3H3,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to GHSR


J Med Chem 47: 6655-7 (2004)


Article DOI: 10.1021/jm0491750
BindingDB Entry DOI: 10.7270/Q237786M
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50260268
PNG
(CHEMBL501261 | rPKPfQwFwLL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ghrelin receptor expressed in african green monkey COS7 cells assessed as constitutively stimulated inositol phosph...


J Biol Chem 282: 15799-811 (2007)


Article DOI: 10.1074/jbc.M609796200
BindingDB Entry DOI: 10.7270/Q2251HZ3
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50260268
PNG
(CHEMBL501261 | rPKPfQwFwLL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [35S]MK677 from human ghrelin receptor expressed in african green monkey COS7 cells


J Biol Chem 282: 15799-811 (2007)


Article DOI: 10.1074/jbc.M609796200
BindingDB Entry DOI: 10.7270/Q2251HZ3
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor


Bioorg Med Chem Lett 10: 5-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00584-3
BindingDB Entry DOI: 10.7270/Q2DV1KDR
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor


Bioorg Med Chem Lett 10: 5-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00584-3
BindingDB Entry DOI: 10.7270/Q2DV1KDR
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049479
PNG
((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)/t27-,34-,37-,38+,39+,40-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor


Bioorg Med Chem Lett 10: 5-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00584-3
BindingDB Entry DOI: 10.7270/Q2DV1KDR
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue receptor type I (GSH1a) receptor expressed in COS-7 cells


J Med Chem 45: 5609-16 (2002)


Article DOI: 10.1021/jm020424z
BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50066816
PNG
((E)-2-methyl-6-(methyl((R)-1-(methyl((R)-1-(methyl...)
Show SMILES CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)\C=C\CC(C)(C)N
Show InChI InChI=1S/C32H40N4O3/c1-32(2,33)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)34-3)21-23-12-7-6-8-13-23/h6-18,20,27-28H,19,21-22,33H2,1-5H3,(H,34,38)/b16-11+/t27-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Activity at human GHS-R1a receptor in rat pitutary cells assessed as GH release


J Med Chem 49: 3077-85 (2006)


Article DOI: 10.1021/jm058053k
BindingDB Entry DOI: 10.7270/Q23B60ZT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049479
PNG
((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)/t27-,34-,37-,38+,39+,40-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.08n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin expressed in in LLC-PK1 cells incubated for 1 hr by gamma counting method


J Med Chem 55: 6502-11 (2012)


Article DOI: 10.1021/jm300557t
BindingDB Entry DOI: 10.7270/Q22J6D00
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...


Bioorg Med Chem Lett 11: 1955-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00324-9
BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1


Bioorg Med Chem 15: 3054-64 (2007)


Article DOI: 10.1016/j.bmc.2007.01.057
BindingDB Entry DOI: 10.7270/Q25M66HV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50066816
PNG
((E)-2-methyl-6-(methyl((R)-1-(methyl((R)-1-(methyl...)
Show SMILES CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)\C=C\CC(C)(C)N
Show InChI InChI=1S/C32H40N4O3/c1-32(2,33)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)34-3)21-23-12-7-6-8-13-23/h6-18,20,27-28H,19,21-22,33H2,1-5H3,(H,34,38)/b16-11+/t27-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1


Bioorg Med Chem 15: 3054-64 (2007)


Article DOI: 10.1016/j.bmc.2007.01.057
BindingDB Entry DOI: 10.7270/Q25M66HV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50292978
PNG
(CHEMBL489095 | GSK-962040 | N-(3-Fluorophenyl)-1-[...)
Show SMILES C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1
Show InChI InChI=1/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human Ghrelin receptor


J Med Chem 52: 1180-9 (2009)


Article DOI: 10.1021/jm801332q
BindingDB Entry DOI: 10.7270/Q208666T
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 0.912n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 61: 5974-5987 (2018)

More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay


J Med Chem 61: 5974-5987 (2018)

More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 22n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 61: 5974-5987 (2018)

More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 0.900n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats


J Med Chem 61: 5974-5987 (2018)

More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay


J Med Chem 61: 5974-5987 (2018)

More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 0.398n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis


J Med Chem 61: 5974-5987 (2018)

More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 0.400n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis


J Med Chem 61: 5974-5987 (2018)

More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50161051
PNG
(3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxyli...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H22ClN3O2/c1-4-25(5-2)16-12-10-15(11-13-16)23-21(26)19-14(3)27-24-20(19)17-8-6-7-9-18(17)22/h6-13H,4-5H2,1-3H3,(H,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to human growth hormone secretagogue receptor


Bioorg Med Chem Lett 15: 1201-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.075
BindingDB Entry DOI: 10.7270/Q24Q7THD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50153535
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H21Cl2N3O2/c1-4-26(5-2)15-11-9-14(10-12-15)24-21(27)18-13(3)28-25-20(18)19-16(22)7-6-8-17(19)23/h6-12H,4-5H2,1-3H3,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ghrelin-induced increase of intracellular [Ca2+] in CHO¿K cell FLIPR assay


Bioorg Med Chem Lett 15: 1201-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.075
BindingDB Entry DOI: 10.7270/Q24Q7THD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50161050
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES Cc1onc(c1C(=O)Nc1ccc(cc1)N1CCCCC1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H21Cl2N3O2/c1-14-19(21(26-29-14)20-17(23)6-5-7-18(20)24)22(28)25-15-8-10-16(11-9-15)27-12-3-2-4-13-27/h5-11H,2-4,12-13H2,1H3,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to human growth hormone secretagogue receptor


Bioorg Med Chem Lett 15: 1201-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.075
BindingDB Entry DOI: 10.7270/Q24Q7THD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50161047
PNG
(5-Methyl-3-phenyl-isoxazole-4-carboxylic acid (4-d...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1
Show InChI InChI=1S/C21H23N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-21(25)19-15(3)26-23-20(19)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to human growth hormone secretagogue receptor


Bioorg Med Chem Lett 15: 1201-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.075
BindingDB Entry DOI: 10.7270/Q24Q7THD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50153535
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H21Cl2N3O2/c1-4-26(5-2)15-11-9-14(10-12-15)24-21(27)18-13(3)28-25-20(18)19-16(22)7-6-8-17(19)23/h6-12H,4-5H2,1-3H3,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit ghrelin induced increase in intracellular [Ca2+] in CHO-K cells was determined by FLIPR assay


Bioorg Med Chem Lett 14: 5223-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.060
BindingDB Entry DOI: 10.7270/Q2Z60NJD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50153535
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H21Cl2N3O2/c1-4-26(5-2)15-11-9-14(10-12-15)24-21(27)18-13(3)28-25-20(18)19-16(22)7-6-8-17(19)23/h6-12H,4-5H2,1-3H3,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [125I]-ghrelin from cloned human GHS-R expressed in CHO-K cells was determined (Kd of ghrelin is 0.4 nM)


Bioorg Med Chem Lett 14: 5223-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.060
BindingDB Entry DOI: 10.7270/Q2Z60NJD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against human growth hormone secretagogue (GHS) receptor


J Med Chem 47: 888-99 (2004)


Article DOI: 10.1021/jm0309452
BindingDB Entry DOI: 10.7270/Q2SN08D0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.140n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [35S]-MK-0677 (800-1100 Ci/mmol), as radioligand having specific high activity


J Med Chem 41: 3103-27 (1998)


Article DOI: 10.1021/jm970342o
BindingDB Entry DOI: 10.7270/Q2D799KH
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay


J Med Chem 61: 5974-5987 (2018)

More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...


Bioorg Med Chem Lett 11: 1955-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00324-9
BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair