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PubMed code 14761190

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))
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
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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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50139789
PNG
(CHEMBL353389 | {3-[2-(3-Bromo-phenyl)-1H-indol-3-y...)
Show SMILES CN(C)CCCc1c([nH]c2ccccc12)-c1cccc(Br)c1
Show InChI InChI=1S/C19H21BrN2/c1-22(2)12-6-10-17-16-9-3-4-11-18(16)21-19(17)14-7-5-8-15(20)13-14/h3-5,7-9,11,13,21H,6,10,12H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against human 5-hydroxytryptamine 6 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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 28n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against human angiotensin II receptor, type 1 (AG2-R)


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


()
BDBM50049481
PNG
((R)-N-(1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)meth...)
Show SMILES CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C1=O
Show InChI InChI=1S/C29H31N7O2/c1-29(2,30)17-26(37)31-24-16-15-21-7-3-6-10-25(21)36(28(24)38)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27-32-34-35-33-27/h3-14,24H,15-18,30H2,1-2H3,(H,31,37)(H,32,33,34,35)/t24-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against rat 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


(Sus scrofa)
BDBM50049481
PNG
((R)-N-(1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)meth...)
Show SMILES CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C1=O
Show InChI InChI=1S/C29H31N7O2/c1-29(2,30)17-26(37)31-24-16-15-21-7-3-6-10-25(21)36(28(24)38)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27-32-34-35-33-27/h3-14,24H,15-18,30H2,1-2H3,(H,31,37)(H,32,33,34,35)/t24-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against pig 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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139791
PNG
(CHEMBL353007 | MC4 ligand)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3CN2)c2ccccc12
Show InChI InChI=1S/C32H35ClN4O4S/c1-42(40,41)37-21-32(26-8-4-5-9-29(26)37)14-16-36(17-15-32)31(39)28(18-22-10-12-25(33)13-11-22)35-30(38)27-19-23-6-2-3-7-24(23)20-34-27/h2-13,27-28,34H,14-21H2,1H3,(H,35,38)/t27?,28-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against human melanocortin-4 (MC4) 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))
BDBM50139791
PNG
(CHEMBL353007 | MC4 ligand)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3CN2)c2ccccc12
Show InChI InChI=1S/C32H35ClN4O4S/c1-42(40,41)37-21-32(26-8-4-5-9-29(26)37)14-16-36(17-15-32)31(39)28(18-22-10-12-25(33)13-11-22)35-30(38)27-19-23-6-2-3-7-24(23)20-34-27/h2-13,27-28,34H,14-21H2,1H3,(H,35,38)/t27?,28-/m1/s1
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n/an/a 190n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139790
PNG
(CHEMBL170530 | {5-[2-(4-Bromo-phenyl)-5-methyl-1H-...)
Show SMILES Cc1ccc2[nH]c(c(CCCCCNC3CCCCC3)c2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H33BrN2/c1-19-11-16-25-24(18-19)23(26(29-25)20-12-14-21(27)15-13-20)10-6-3-7-17-28-22-8-4-2-5-9-22/h11-16,18,22,28-29H,2-10,17H2,1H3
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n/an/a 612n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against human melanocortin-4 (MC4) 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))
BDBM50049481
PNG
((R)-N-(1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)meth...)
Show SMILES CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C1=O
Show InChI InChI=1S/C29H31N7O2/c1-29(2,30)17-26(37)31-24-16-15-21-7-3-6-10-25(21)36(28(24)38)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27-32-34-35-33-27/h3-14,24H,15-18,30H2,1-2H3,(H,31,37)(H,32,33,34,35)/t24-/m1/s1
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n/an/a 2.80E+3n/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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049481
PNG
((R)-N-(1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)meth...)
Show SMILES CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C1=O
Show InChI InChI=1S/C29H31N7O2/c1-29(2,30)17-26(37)31-24-16-15-21-7-3-6-10-25(21)36(28(24)38)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27-32-34-35-33-27/h3-14,24H,15-18,30H2,1-2H3,(H,31,37)(H,32,33,34,35)/t24-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against human angiotensin II receptor, type 1 (AG2-R)


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
* indicates data uncertainty>20%