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Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'schaefer' and Initial = 'vg'   
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))
BDBM19387
PNG
(2,4-diaminopyrimidine derivative, 8c | 6-[(benzylo...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181184
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((3-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-c1nc(-[#7])nc(-[#7])c1-c1ccc(-[#7]-[#6]-c2ccc(cc2)S([#6])(=O)=O)cc1
Show InChI InChI=1S/C24H29N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-12,27H,13-15H2,1-3H3,(H4,25,26,28,29)
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181180
PNG
(CHEMBL377514 | N-(3,5-dimethylbenzyl)-3-(5-(4-(4-(...)
Show SMILES Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C30H34N6O3S/c1-19-14-20(2)16-22(15-19)18-34-27(37)13-12-26-28(29(31)36-30(32)35-26)23-6-8-24(9-7-23)33-17-21-4-10-25(11-5-21)40(3,38)39/h4-11,14-16,33H,12-13,17-18H2,1-3H3,(H,34,37)(H4,31,32,35,36)
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181214
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((4-...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CNc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H25FN6O2S/c1-35(33,34)21-12-2-16(3-13-21)14-29-19-8-4-17(5-9-19)23-22(31-25(28)32-24(23)27)15-30-20-10-6-18(26)7-11-20/h2-13,29-30H,14-15H2,1H3,(H4,27,28,31,32)
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181184
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((3-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-c1nc(-[#7])nc(-[#7])c1-c1ccc(-[#7]-[#6]-c2ccc(cc2)S([#6])(=O)=O)cc1
Show InChI InChI=1S/C24H29N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-12,27H,13-15H2,1-3H3,(H4,25,26,28,29)
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n/an/a 1.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181191
PNG
(CHEMBL205711 | N-(3-chlorobenzyl)-3-(5-(4-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CCC(=O)NCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C28H29ClN6O3S/c1-39(37,38)23-11-5-18(6-12-23)16-32-22-9-7-20(8-10-22)26-24(34-28(31)35-27(26)30)13-14-25(36)33-17-19-3-2-4-21(29)15-19/h2-12,15,32H,13-14,16-17H2,1H3,(H,33,36)(H4,30,31,34,35)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50158330
PNG
((+/-)isobutyl 8-chloro-2-((4-(diethylamino)phenyl)...)
Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(Cl)c3C2)NC(=O)OCC(C)C)cc1
Show InChI InChI=1S/C26H34ClN3O3/c1-5-30(6-2)21-12-10-20(11-13-21)28-24(31)26(29-25(32)33-17-18(3)4)15-14-19-8-7-9-23(27)22(19)16-26/h7-13,18H,5-6,14-17H2,1-4H3,(H,28,31)(H,29,32)
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n/an/a 2n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181217
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((me...)
Show SMILES CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N6O2S/c1-32(21-6-4-3-5-7-21)17-23-24(25(27)31-26(28)30-23)19-10-12-20(13-11-19)29-16-18-8-14-22(15-9-18)35(2,33)34/h3-15,29H,16-17H2,1-2H3,(H4,27,28,30,31)
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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181182
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((fu...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccco2)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-34(30,31)20-10-4-16(5-11-20)13-27-18-8-6-17(7-9-18)22-21(28-24(26)29-23(22)25)15-32-14-19-3-2-12-33-19/h2-12,27H,13-15H2,1H3,(H4,25,26,28,29)
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n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181201
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-(iso...)
Show SMILES CC(C)CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H31N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-11,16,27H,12-15H2,1-3H3,(H4,25,26,28,29)
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n/an/a 2.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153531
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCC2OCCCO2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.75,-.96,;7.28,-.47,;6.14,-1.52,;6.45,-3.02,;7.92,-3.51,;4.67,-1.03,;4.35,.47,;2.88,.95,;1.75,-.05,;2.06,-1.59,;3.52,-2.05,;.29,.39,;-.86,-.63,;-.53,-2.15,;-2.33,-.17,;-2.8,1.31,;-1.91,2.54,;-2.54,3.94,;-1.63,5.2,;-2.26,6.6,;-1.35,7.82,;.17,7.66,;.8,6.28,;-.09,5.06,;-4.33,1.28,;-4.82,-.17,;-3.56,-1.07,;-3.56,-2.61,;-2.21,-3.38,;-.68,-3.38,;-2.21,-4.92,;-3.56,-5.7,;-4.89,-4.92,;-4.89,-3.38,;-6.22,-2.61,)|
Show InChI InChI=1S/C26H35Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,17-18,22H,3-4,6,9-16H2,1-2H3,(H,29,32)/t17-,18-
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n/an/a 3n/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


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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181180
PNG
(CHEMBL377514 | N-(3,5-dimethylbenzyl)-3-(5-(4-(4-(...)
Show SMILES Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C30H34N6O3S/c1-19-14-20(2)16-22(15-19)18-34-27(37)13-12-26-28(29(31)36-30(32)35-26)23-6-8-24(9-7-23)33-17-21-4-10-25(11-5-21)40(3,38)39/h4-11,14-16,33H,12-13,17-18H2,1-3H3,(H,34,37)(H4,31,32,35,36)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181229
PNG
(5-[4-(4-methanesulfonyl-benzylamino)-phenyl]-6-(5-...)
Show SMILES Cc1ccc(COCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)o1
Show InChI InChI=1S/C25H27N5O4S/c1-16-3-10-20(34-16)14-33-15-22-23(24(26)30-25(27)29-22)18-6-8-19(9-7-18)28-13-17-4-11-21(12-5-17)35(2,31)32/h3-12,28H,13-15H2,1-2H3,(H4,26,27,29,30)
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n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181225
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((be...)
Show SMILES CN(Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C27H30N6O2S/c1-33(17-20-6-4-3-5-7-20)18-24-25(26(28)32-27(29)31-24)21-10-12-22(13-11-21)30-16-19-8-14-23(15-9-19)36(2,34)35/h3-15,30H,16-18H2,1-2H3,(H4,28,29,31,32)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181192
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-octy...)
Show SMILES CCCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C26H35N5O2S/c1-3-4-5-6-7-8-9-23-24(25(27)31-26(28)30-23)20-12-14-21(15-13-20)29-18-19-10-16-22(17-11-19)34(2,32)33/h10-17,29H,3-9,18H2,1-2H3,(H4,27,28,30,31)
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n/an/a 5.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181204
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-isop...)
Show SMILES CC(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H25N5O2S/c1-13(2)19-18(20(22)26-21(23)25-19)15-6-8-16(9-7-15)24-12-14-4-10-17(11-5-14)29(3,27)28/h4-11,13,24H,12H2,1-3H3,(H4,22,23,25,26)
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n/an/a 5.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181191
PNG
(CHEMBL205711 | N-(3-chlorobenzyl)-3-(5-(4-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CCC(=O)NCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C28H29ClN6O3S/c1-39(37,38)23-11-5-18(6-12-23)16-32-22-9-7-20(8-10-22)26-24(34-28(31)35-27(26)30)13-14-25(36)33-17-19-3-2-4-21(29)15-19/h2-12,15,32H,13-14,16-17H2,1H3,(H,33,36)(H4,30,31,34,35)
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n/an/a 5.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181179
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((ph...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CNc2ccccc2)cc1
Show InChI InChI=1S/C25H26N6O2S/c1-34(32,33)21-13-7-17(8-14-21)15-28-20-11-9-18(10-12-20)23-22(30-25(27)31-24(23)26)16-29-19-5-3-2-4-6-19/h2-14,28-29H,15-16H2,1H3,(H4,26,27,30,31)
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n/an/a 5.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181176
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-hept...)
Show SMILES CCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C25H33N5O2S/c1-3-4-5-6-7-8-22-23(24(26)30-25(27)29-22)19-11-13-20(14-12-19)28-17-18-9-15-21(16-10-18)33(2,31)32/h9-16,28H,3-8,17H2,1-2H3,(H4,26,27,29,30)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153534
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.52,-1.48,;6.98,-1.48,;6.6,,;6.98,1.49,;8.52,1.49,;5.05,,;4.29,-1.34,;2.74,-1.36,;1.96,-.03,;.42,-.05,;-.67,-1.15,;-.27,-2.64,;-2.14,-.75,;-2.54,.72,;-1.59,1.95,;-2.68,3.03,;-2.3,4.53,;-.81,4.94,;-.41,6.43,;-1.49,7.5,;-2.98,7.12,;-3.38,5.62,;-4.08,.81,;-4.62,-.63,;-3.42,-1.59,;-3.33,-3.13,;-1.98,-3.83,;-.48,-4.23,;-1.87,-5.39,;-3.17,-6.21,;-4.55,-5.51,;-4.64,-3.99,;-6.01,-3.3,;2.71,1.31,;4.25,1.32,)|
Show InChI InChI=1S/C26H29Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-12,22H,3-4,6,13-16H2,1-2H3,(H,29,32)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability 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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181181
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-hexy...)
Show SMILES CCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H31N5O2S/c1-3-4-5-6-7-21-22(23(25)29-24(26)28-21)18-10-12-19(13-11-18)27-16-17-8-14-20(15-9-17)32(2,30)31/h8-15,27H,3-7,16H2,1-2H3,(H4,25,26,28,29)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153534
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.52,-1.48,;6.98,-1.48,;6.6,,;6.98,1.49,;8.52,1.49,;5.05,,;4.29,-1.34,;2.74,-1.36,;1.96,-.03,;.42,-.05,;-.67,-1.15,;-.27,-2.64,;-2.14,-.75,;-2.54,.72,;-1.59,1.95,;-2.68,3.03,;-2.3,4.53,;-.81,4.94,;-.41,6.43,;-1.49,7.5,;-2.98,7.12,;-3.38,5.62,;-4.08,.81,;-4.62,-.63,;-3.42,-1.59,;-3.33,-3.13,;-1.98,-3.83,;-.48,-4.23,;-1.87,-5.39,;-3.17,-6.21,;-4.55,-5.51,;-4.64,-3.99,;-6.01,-3.3,;2.71,1.31,;4.25,1.32,)|
Show InChI InChI=1S/C26H29Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-12,22H,3-4,6,13-16H2,1-2H3,(H,29,32)
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n/an/a 6n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181201
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-(iso...)
Show SMILES CC(C)CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H31N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-11,16,27H,12-15H2,1-3H3,(H4,25,26,28,29)
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n/an/a 6.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153528
PNG
(5-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(2,6-dichloro-...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCc2ccc3OCOc3c2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(7.74,-4.11,;6.28,-3.62,;5.96,-2.13,;7.11,-1.1,;8.57,-1.57,;4.5,-1.64,;4.18,-.14,;2.71,.34,;1.58,-.68,;1.9,-2.2,;3.36,-2.66,;.12,-.22,;-1.02,-1.24,;-.69,-2.75,;-2.49,-.78,;-2.95,.69,;-2.07,1.93,;-2.69,3.33,;-1.79,4.58,;-2.42,5.98,;-1.55,7.22,;.01,7.08,;1.15,8.09,;2.48,7.33,;2.15,5.82,;.63,5.68,;-.27,4.42,;-4.5,.68,;-4.98,-.78,;-3.72,-1.68,;-3.72,-3.22,;-5.05,-3.98,;-6.38,-3.22,;-5.05,-5.53,;-3.72,-6.3,;-2.38,-5.53,;-2.38,-3.98,;-.84,-3.98,)|
Show InChI InChI=1S/C29H33Cl2N3O4/c1-3-34(4-2)20-12-10-19(11-13-20)32-29(35)27-24(15-9-18-8-14-23-25(16-18)37-17-36-23)38-33-28(27)26-21(30)6-5-7-22(26)31/h5-8,14,16,19-20H,3-4,9-13,15,17H2,1-2H3,(H,32,35)/t19-,20-
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse Growth hormone secretagogue receptor


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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19387
PNG
(2,4-diaminopyrimidine derivative, 8c | 6-[(benzylo...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)
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n/an/a 7.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181185
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-(met...)
Show SMILES COCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H23N5O3S/c1-28-12-17-18(19(21)25-20(22)24-17)14-5-7-15(8-6-14)23-11-13-3-9-16(10-4-13)29(2,26)27/h3-10,23H,11-12H2,1-2H3,(H4,21,22,24,25)
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n/an/a 7.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153547
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-piperidin-1-yl...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN3CCCCC3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.86,-1.12,;7.38,-.65,;6.25,-1.69,;6.56,-3.2,;8.05,-3.65,;4.77,-1.21,;3.64,-2.25,;2.18,-1.77,;1.85,-.28,;.4,.2,;-.75,-.84,;-.42,-2.33,;-2.22,-.36,;-2.7,1.1,;-1.8,2.35,;-2.43,3.77,;-1.53,5.01,;.01,4.83,;.89,6.06,;.28,7.49,;-1.25,7.63,;-2.16,6.39,;-3.7,6.57,;-4.24,1.1,;-4.71,-.37,;-3.45,-1.26,;-3.45,-2.8,;-4.78,-3.58,;-6.13,-2.8,;-4.78,-5.12,;-3.45,-5.88,;-2.11,-5.12,;-2.11,-3.57,;-.58,-3.57,;2.99,.76,;4.44,.3,)|
Show InChI InChI=1S/C27H30Cl2N4O3/c1-3-32(4-2)19-13-11-18(12-14-19)30-27(35)25-22(15-17-33-16-6-5-10-23(33)34)36-31-26(25)24-20(28)8-7-9-21(24)29/h7-9,11-14H,3-6,10,15-17H2,1-2H3,(H,30,35)
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n/an/a 8n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181217
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((me...)
Show SMILES CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N6O2S/c1-32(21-6-4-3-5-7-21)17-23-24(25(27)31-26(28)30-23)19-10-12-20(13-11-19)29-16-18-8-14-22(15-9-18)35(2,33)34/h3-15,29H,16-17H2,1-2H3,(H4,27,28,30,31)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50161052
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCCO3)onc2-c2c(Cl)cccc2Cl)c(C)c1 |(8.47,1.42,;6.93,1.42,;6.53,-.05,;6.93,-1.55,;8.47,-1.55,;4.99,-.08,;4.25,-1.42,;2.68,-1.43,;1.91,-.12,;.37,-.12,;-.72,-1.22,;-.32,-2.71,;-2.19,-.82,;-2.59,.65,;-1.63,1.87,;-2.73,2.96,;-2.35,4.47,;-.86,4.85,;-.46,6.35,;-1.53,7.43,;-3.03,7.05,;-3.45,5.54,;-4.12,.74,;-4.67,-.7,;-3.47,-1.66,;-3.38,-3.2,;-2.02,-3.9,;-.53,-4.3,;-1.93,-5.46,;-3.22,-6.28,;-4.6,-5.6,;-4.68,-4.06,;-6.06,-3.37,;2.66,1.23,;1.89,2.57,;4.2,1.25,)|
Show InChI InChI=1S/C27H31Cl2N3O4/c1-4-32(5-2)18-10-11-21(17(3)16-18)30-27(33)25-22(12-13-23-34-14-7-15-35-23)36-31-26(25)24-19(28)8-6-9-20(24)29/h6,8-11,16,23H,4-5,7,12-15H2,1-3H3,(H,30,33)
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n/an/a 9n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153547
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-piperidin-1-yl...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN3CCCCC3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.86,-1.12,;7.38,-.65,;6.25,-1.69,;6.56,-3.2,;8.05,-3.65,;4.77,-1.21,;3.64,-2.25,;2.18,-1.77,;1.85,-.28,;.4,.2,;-.75,-.84,;-.42,-2.33,;-2.22,-.36,;-2.7,1.1,;-1.8,2.35,;-2.43,3.77,;-1.53,5.01,;.01,4.83,;.89,6.06,;.28,7.49,;-1.25,7.63,;-2.16,6.39,;-3.7,6.57,;-4.24,1.1,;-4.71,-.37,;-3.45,-1.26,;-3.45,-2.8,;-4.78,-3.58,;-6.13,-2.8,;-4.78,-5.12,;-3.45,-5.88,;-2.11,-5.12,;-2.11,-3.57,;-.58,-3.57,;2.99,.76,;4.44,.3,)|
Show InChI InChI=1S/C27H30Cl2N4O3/c1-3-32(4-2)19-13-11-18(12-14-19)30-27(35)25-22(15-17-33-16-6-5-10-23(33)34)36-31-26(25)24-20(28)8-7-9-21(24)29/h7-9,11-14H,3-6,10,15-17H2,1-2H3,(H,30,35)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability 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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181179
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((ph...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CNc2ccccc2)cc1
Show InChI InChI=1S/C25H26N6O2S/c1-34(32,33)21-13-7-17(8-14-21)15-28-20-11-9-18(10-12-20)23-22(30-25(27)31-24(23)26)16-29-19-5-3-2-4-6-19/h2-14,28-29H,15-16H2,1H3,(H4,26,27,30,31)
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n/an/a 9.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181182
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((fu...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccco2)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-34(30,31)20-10-4-16(5-11-20)13-27-18-8-6-17(7-9-18)22-21(28-24(26)29-23(22)25)15-32-14-19-3-2-12-33-19/h2-12,27H,13-15H2,1H3,(H4,25,26,28,29)
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n/an/a 9.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19351
PNG
(2,4-diaminopyrimidine-based antagonist, 4c | 6-eth...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H23N5O2S/c1-3-17-18(19(21)25-20(22)24-17)14-6-8-15(9-7-14)23-12-13-4-10-16(11-5-13)28(2,26)27/h4-11,23H,3,12H2,1-2H3,(H4,21,22,24,25)
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n/an/a 9.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181229
PNG
(5-[4-(4-methanesulfonyl-benzylamino)-phenyl]-6-(5-...)
Show SMILES Cc1ccc(COCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)o1
Show InChI InChI=1S/C25H27N5O4S/c1-16-3-10-20(34-16)14-33-15-22-23(24(26)30-25(27)29-22)18-6-8-19(9-7-18)28-13-17-4-11-21(12-5-17)35(2,31)32/h3-12,28H,13-15H2,1-2H3,(H4,26,27,29,30)
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n/an/a 9.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181210
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-(((4...)
Show SMILES CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN6O2S/c1-33(21-11-7-19(27)8-12-21)16-23-24(25(28)32-26(29)31-23)18-5-9-20(10-6-18)30-15-17-3-13-22(14-4-17)36(2,34)35/h3-14,30H,15-16H2,1-2H3,(H4,28,29,31,32)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50161052
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCCO3)onc2-c2c(Cl)cccc2Cl)c(C)c1 |(8.47,1.42,;6.93,1.42,;6.53,-.05,;6.93,-1.55,;8.47,-1.55,;4.99,-.08,;4.25,-1.42,;2.68,-1.43,;1.91,-.12,;.37,-.12,;-.72,-1.22,;-.32,-2.71,;-2.19,-.82,;-2.59,.65,;-1.63,1.87,;-2.73,2.96,;-2.35,4.47,;-.86,4.85,;-.46,6.35,;-1.53,7.43,;-3.03,7.05,;-3.45,5.54,;-4.12,.74,;-4.67,-.7,;-3.47,-1.66,;-3.38,-3.2,;-2.02,-3.9,;-.53,-4.3,;-1.93,-5.46,;-3.22,-6.28,;-4.6,-5.6,;-4.68,-4.06,;-6.06,-3.37,;2.66,1.23,;1.89,2.57,;4.2,1.25,)|
Show InChI InChI=1S/C27H31Cl2N3O4/c1-4-32(5-2)18-10-11-21(17(3)16-18)30-27(33)25-22(12-13-23-34-14-7-15-35-23)36-31-26(25)24-19(28)8-6-9-20(24)29/h6,8-11,16,23H,4-5,7,12-15H2,1-3H3,(H,30,33)
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n/an/a 10n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153545
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(3-methyl-2-oxo-imida...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN3CCN(C)C3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.86,-1.17,;7.39,-.71,;6.25,-1.75,;6.58,-3.25,;8.05,-3.71,;4.78,-1.27,;3.64,-2.31,;2.2,-1.83,;1.87,-.33,;.4,.14,;-.74,-.89,;-.41,-2.38,;-2.21,-.4,;-2.67,1.04,;-1.79,2.28,;-2.42,3.7,;-1.51,4.94,;.01,4.94,;.5,6.41,;-.76,7.31,;-.76,8.81,;-2,6.4,;-3.46,6.87,;-4.21,1.04,;-4.7,-.43,;-3.44,-1.31,;-3.44,-2.85,;-4.77,-3.63,;-6.1,-2.85,;-4.77,-5.18,;-3.44,-5.94,;-2.09,-5.18,;-2.09,-3.62,;-.55,-3.62,;2.99,.7,;4.46,.23,)|
Show InChI InChI=1S/C26H29Cl2N5O3/c1-4-32(5-2)18-11-9-17(10-12-18)29-25(34)23-21(13-14-33-16-15-31(3)26(33)35)36-30-24(23)22-19(27)7-6-8-20(22)28/h6-12H,4-5,13-16H2,1-3H3,(H,29,34)
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n/an/a 10n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181193
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-isob...)
Show SMILES CC(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H27N5O2S/c1-14(2)12-19-20(21(23)27-22(24)26-19)16-6-8-17(9-7-16)25-13-15-4-10-18(11-5-15)30(3,28)29/h4-11,14,25H,12-13H2,1-3H3,(H4,23,24,26,27)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50158329
PNG
((+/-)-isobutyl 2-({[4-(diethylamino)phenyl]amino}c...)
Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3ccccc3C2)NC(=O)OCC(C)C)cc1
Show InChI InChI=1S/C26H35N3O3/c1-5-29(6-2)23-13-11-22(12-14-23)27-24(30)26(28-25(31)32-18-19(3)4)16-15-20-9-7-8-10-21(20)17-26/h7-14,19H,5-6,15-18H2,1-4H3,(H,27,30)(H,28,31)
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n/an/a 11n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181211
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-tert...)
Show SMILES CC(C)(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H27N5O2S/c1-22(2,3)19-18(20(23)27-21(24)26-19)15-7-9-16(10-8-15)25-13-14-5-11-17(12-6-14)30(4,28)29/h5-12,25H,13H2,1-4H3,(H4,23,24,26,27)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181206
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-buty...)
Show SMILES CCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H27N5O2S/c1-3-4-5-19-20(21(23)27-22(24)26-19)16-8-10-17(11-9-16)25-14-15-6-12-18(13-7-15)30(2,28)29/h6-13,25H,3-5,14H2,1-2H3,(H4,23,24,26,27)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181214
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((4-...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CNc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H25FN6O2S/c1-35(33,34)21-12-2-16(3-13-21)14-29-19-8-4-17(5-9-19)23-22(31-25(28)32-24(23)27)15-30-20-10-6-18(26)7-11-20/h2-13,29-30H,14-15H2,1H3,(H4,27,28,31,32)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)
BDBM50153528
PNG
(5-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(2,6-dichloro-...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCc2ccc3OCOc3c2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(7.74,-4.11,;6.28,-3.62,;5.96,-2.13,;7.11,-1.1,;8.57,-1.57,;4.5,-1.64,;4.18,-.14,;2.71,.34,;1.58,-.68,;1.9,-2.2,;3.36,-2.66,;.12,-.22,;-1.02,-1.24,;-.69,-2.75,;-2.49,-.78,;-2.95,.69,;-2.07,1.93,;-2.69,3.33,;-1.79,4.58,;-2.42,5.98,;-1.55,7.22,;.01,7.08,;1.15,8.09,;2.48,7.33,;2.15,5.82,;.63,5.68,;-.27,4.42,;-4.5,.68,;-4.98,-.78,;-3.72,-1.68,;-3.72,-3.22,;-5.05,-3.98,;-6.38,-3.22,;-5.05,-5.53,;-3.72,-6.3,;-2.38,-5.53,;-2.38,-3.98,;-.84,-3.98,)|
Show InChI InChI=1S/C29H33Cl2N3O4/c1-3-34(4-2)20-12-10-19(11-13-20)32-29(35)27-24(15-9-18-8-14-23-25(16-18)37-17-36-23)38-33-28(27)26-21(30)6-5-7-22(26)31/h5-8,14,16,19-20H,3-4,9-13,15,17H2,1-2H3,(H,32,35)/t19-,20-
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat Growth hormone secretagogue receptor


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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181209
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-(ind...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CN2CCc3ccccc23)cc1
Show InChI InChI=1S/C27H28N6O2S/c1-36(34,35)22-12-6-18(7-13-22)16-30-21-10-8-20(9-11-21)25-23(31-27(29)32-26(25)28)17-33-15-14-19-4-2-3-5-24(19)33/h2-13,30H,14-17H2,1H3,(H4,28,29,31,32)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153534
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.52,-1.48,;6.98,-1.48,;6.6,,;6.98,1.49,;8.52,1.49,;5.05,,;4.29,-1.34,;2.74,-1.36,;1.96,-.03,;.42,-.05,;-.67,-1.15,;-.27,-2.64,;-2.14,-.75,;-2.54,.72,;-1.59,1.95,;-2.68,3.03,;-2.3,4.53,;-.81,4.94,;-.41,6.43,;-1.49,7.5,;-2.98,7.12,;-3.38,5.62,;-4.08,.81,;-4.62,-.63,;-3.42,-1.59,;-3.33,-3.13,;-1.98,-3.83,;-.48,-4.23,;-1.87,-5.39,;-3.17,-6.21,;-4.55,-5.51,;-4.64,-3.99,;-6.01,-3.3,;2.71,1.31,;4.25,1.32,)|
Show InChI InChI=1S/C26H29Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-12,22H,3-4,6,13-16H2,1-2H3,(H,29,32)
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n/an/a 14n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181188
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-cycl...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2C2CCC2)cc1
Show InChI InChI=1S/C22H25N5O2S/c1-30(28,29)18-11-5-14(6-12-18)13-25-17-9-7-15(8-10-17)19-20(16-3-2-4-16)26-22(24)27-21(19)23/h5-12,16,25H,2-4,13H2,1H3,(H4,23,24,26,27)
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181204
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-isop...)
Show SMILES CC(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H25N5O2S/c1-13(2)19-18(20(22)26-21(23)25-19)15-6-8-16(9-7-15)24-12-14-4-10-17(11-5-14)29(3,27)28/h4-11,13,24H,12H2,1-3H3,(H4,22,23,25,26)
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153536
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2,2-dimethyl-5-oxo-p...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN3C(=O)CCC3(C)C)onc2-c2c(Cl)cccc2Cl)cc1 |(8.01,-3.69,;6.53,-3.22,;6.21,-1.71,;7.35,-.68,;8.83,-1.14,;4.74,-1.24,;3.6,-2.27,;2.15,-1.8,;1.82,-.29,;.36,.18,;-.79,-.86,;-.46,-2.36,;-2.26,-.38,;-2.73,1.07,;-1.84,2.33,;-2.47,3.73,;-1.58,4.99,;-2.05,6.46,;-3.52,6.92,;-.82,7.35,;.44,6.46,;-.04,4.99,;-.04,3.45,;1.29,4.22,;-4.27,1.07,;-4.75,-.4,;-3.49,-1.28,;-3.49,-2.82,;-2.15,-3.59,;-.61,-3.59,;-2.15,-5.14,;-3.49,-5.91,;-4.82,-5.14,;-4.82,-3.6,;-6.16,-2.82,;2.95,.74,;4.41,.27,)|
Show InChI InChI=1S/C28H32Cl2N4O3/c1-5-33(6-2)19-12-10-18(11-13-19)31-27(36)25-22(15-17-34-23(35)14-16-28(34,3)4)37-32-26(25)24-20(29)8-7-9-21(24)30/h7-13H,5-6,14-17H2,1-4H3,(H,31,36)
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n/an/a 15n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50158327
PNG
((+/-)isobutyl 2-((4-(diethylamino)phenyl)carbamoyl...)
Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(OC)c3C2)N(C)C(=O)OCC(C)C)cc1
Show InChI InChI=1S/C28H39N3O4/c1-7-31(8-2)23-14-12-22(13-15-23)29-26(32)28(30(5)27(33)35-19-20(3)4)17-16-21-10-9-11-25(34-6)24(21)18-28/h9-15,20H,7-8,16-19H2,1-6H3,(H,29,32)
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n/an/a 16n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181196
PNG
(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((cy...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CNCC2CCCC2)cc1
Show InChI InChI=1S/C25H32N6O2S/c1-34(32,33)21-12-6-18(7-13-21)15-29-20-10-8-19(9-11-20)23-22(30-25(27)31-24(23)26)16-28-14-17-4-2-3-5-17/h6-13,17,28-29H,2-5,14-16H2,1H3,(H4,26,27,30,31)
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
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