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PubMed code 14698149

Compile data set for download or QSAR
Found 14 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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138212
PNG
((S)-5-Phenethyl-3-(3-piperidin-1-yl-propyl)-1-[2'-...)
Show SMILES Oc1c(CCc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C33H37N7O2/c41-32-30(19-16-25-10-3-1-4-11-25)40(33(42)39(32)23-9-22-38-20-7-2-8-21-38)24-26-14-17-27(18-15-26)28-12-5-6-13-29(28)31-34-36-37-35-31/h1,3-6,10-15,17-18,41H,2,7-9,16,19-24H2,(H,34,35,36,37)
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n/an/a 600n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138213
PNG
((S)-5-Phenethyl-3-(3-pyrrolidin-1-yl-propyl)-1-[2'...)
Show SMILES Oc1c(CCc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=O)n1CCCN1CCCC1
Show InChI InChI=1S/C32H35N7O2/c40-31-29(18-15-24-9-2-1-3-10-24)39(32(41)38(31)22-8-21-37-19-6-7-20-37)23-25-13-16-26(17-14-25)27-11-4-5-12-28(27)30-33-35-36-34-30/h1-5,9-14,16-17,40H,6-8,15,18-23H2,(H,33,34,35,36)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138215
PNG
((S)-5-Phenethyl-3-(3-piperidin-1-yl-propyl)-1-{4-[...)
Show SMILES Oc1c(CCc2ccccc2)n(Cc2cc(cs2)-c2ccccc2-c2nnn[nH]2)c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C31H35N7O2S/c39-30-28(15-14-23-10-3-1-4-11-23)38(31(40)37(30)19-9-18-36-16-7-2-8-17-36)21-25-20-24(22-41-25)26-12-5-6-13-27(26)29-32-34-35-33-29/h1,3-6,10-13,20,22,39H,2,7-9,14-19,21H2,(H,32,33,34,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138211
PNG
((S)-1-[3-Fluoro-2'-(2H-tetrazol-5-yl)-biphenyl-4-y...)
Show SMILES Oc1c(CCc2ccccc2)n(Cc2ccc(cc2F)-c2ccccc2-c2nnn[nH]2)c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C33H36FN7O2/c34-29-22-25(27-12-5-6-13-28(27)31-35-37-38-36-31)15-16-26(29)23-41-30(17-14-24-10-3-1-4-11-24)32(42)40(33(41)43)21-9-20-39-18-7-2-8-19-39/h1,3-6,10-13,15-16,22,42H,2,7-9,14,17-21,23H2,(H,35,36,37,38)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138204
PNG
((S)-3-(3-Dimethylamino-propyl)-5-phenethyl-1-[2'-(...)
Show SMILES CN(C)CCCn1c(O)c(CCc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=O
Show InChI InChI=1S/C30H33N7O2/c1-35(2)19-8-20-36-29(38)27(18-15-22-9-4-3-5-10-22)37(30(36)39)21-23-13-16-24(17-14-23)25-11-6-7-12-26(25)28-31-33-34-32-28/h3-7,9-14,16-17,38H,8,15,18-21H2,1-2H3,(H,31,32,33,34)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138214
PNG
((S)-3-(3-Dimethylamino-propyl)-5-phenethyl-1-[2'-(...)
Show SMILES CN(C)CCCn1c(O)c(CCc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=S
Show InChI InChI=1S/C30H33N7OS/c1-35(2)19-8-20-36-29(38)27(18-15-22-9-4-3-5-10-22)37(30(36)39)21-23-13-16-24(17-14-23)25-11-6-7-12-26(25)28-31-33-34-32-28/h3-7,9-14,16-17,38H,8,15,18-21H2,1-2H3,(H,31,32,33,34)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138209
PNG
((S)-5-Phenethyl-3-(3-piperidin-1-yl-propyl)-1-{5-[...)
Show SMILES Oc1c(CCc2ccccc2)n(Cc2ccc(s2)-c2ccccc2-c2nnn[nH]2)c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C31H35N7O2S/c39-30-27(16-14-23-10-3-1-4-11-23)38(31(40)37(30)21-9-20-36-18-7-2-8-19-36)22-24-15-17-28(41-24)25-12-5-6-13-26(25)29-32-34-35-33-29/h1,3-6,10-13,15,17,39H,2,7-9,14,16,18-22H2,(H,32,33,34,35)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138205
PNG
((S)-5-Benzyl-3-(3-dimethylamino-propyl)-1-[2'-(2H-...)
Show SMILES CN(C)CCCn1c(O)c(Cc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=S
Show InChI InChI=1S/C29H31N7OS/c1-34(2)17-8-18-35-28(37)26(19-21-9-4-3-5-10-21)36(29(35)38)20-22-13-15-23(16-14-22)24-11-6-7-12-25(24)27-30-32-33-31-27/h3-7,9-16,37H,8,17-20H2,1-2H3,(H,30,31,32,33)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138210
PNG
((S)-3-(3-Dimethylamino-propyl)-5-phenyl-1-[2'-(2H-...)
Show SMILES CN(C)CCCn1c(O)c(-c2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=S
Show InChI InChI=1S/C28H29N7OS/c1-33(2)17-8-18-34-27(36)25(22-9-4-3-5-10-22)35(28(34)37)19-20-13-15-21(16-14-20)23-11-6-7-12-24(23)26-29-31-32-30-26/h3-7,9-16,36H,8,17-19H2,1-2H3,(H,29,30,31,32)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138207
PNG
((S)-3-(3-Morpholin-4-yl-propyl)-5-phenethyl-1-[2'-...)
Show SMILES Oc1c(CCc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=S)n1CCCN1CCOCC1
Show InChI InChI=1S/C32H35N7O2S/c40-31-29(16-13-24-7-2-1-3-8-24)39(32(42)38(31)18-6-17-37-19-21-41-22-20-37)23-25-11-14-26(15-12-25)27-9-4-5-10-28(27)30-33-35-36-34-30/h1-5,7-12,14-15,40H,6,13,16-23H2,(H,33,34,35,36)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138208
PNG
((S)-5-(1H-Indol-3-ylmethyl)-3-piperidin-4-yl-1-[2'...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=O)n1C1CCNCC1
Show InChI InChI=1S/C31H30N8O2/c40-30-28(17-22-18-33-27-8-4-3-6-25(22)27)38(31(41)39(30)23-13-15-32-16-14-23)19-20-9-11-21(12-10-20)24-5-1-2-7-26(24)29-34-36-37-35-29/h1-12,18,23,32-33,40H,13-17,19H2,(H,34,35,36,37)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138216
PNG
(3-{(S)-2,5-Dioxo-4-phenethyl-3-[2'-(2H-tetrazol-5-...)
Show SMILES CN(C)C(=O)CCn1c(O)c(CCc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=O
Show InChI InChI=1S/C30H31N7O3/c1-35(2)27(38)18-19-36-29(39)26(17-14-21-8-4-3-5-9-21)37(30(36)40)20-22-12-15-23(16-13-22)24-10-6-7-11-25(24)28-31-33-34-32-28/h3-13,15-16,39H,14,17-20H2,1-2H3,(H,31,32,33,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138203
PNG
((S)-3-(3-Amino-propyl)-5-phenethyl-1-[2'-(2H-tetra...)
Show SMILES NCCCn1c(O)c(CCc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=O
Show InChI InChI=1S/C28H29N7O2/c29-17-6-18-34-27(36)25(16-13-20-7-2-1-3-8-20)35(28(34)37)19-21-11-14-22(15-12-21)23-9-4-5-10-24(23)26-30-32-33-31-26/h1-5,7-12,14-15,36H,6,13,16-19,29H2,(H,30,31,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50138206
PNG
((S)-3-(4-Dimethylamino-phenyl)-5-phenethyl-1-[2'-(...)
Show SMILES CN(C)c1ccc(cc1)-n1c(O)c(CCc2ccccc2)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=S
Show InChI InChI=1S/C33H31N7OS/c1-38(2)26-17-19-27(20-18-26)40-32(41)30(21-14-23-8-4-3-5-9-23)39(33(40)42)22-24-12-15-25(16-13-24)28-10-6-7-11-29(28)31-34-36-37-35-31/h3-13,15-20,41H,14,21-22H2,1-2H3,(H,34,35,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells

Bioorg Med Chem Lett 14: 317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6CND
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%