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PubMed code 15380232

Compile data set for download or QSAR
Found 52 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))		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))		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))		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))		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))		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))		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


(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))		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))		BDBM50153546
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-pyrrolidin-1-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN3CCCC3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.03,-3.46,;6.56,-2.99,;6.23,-1.5,;7.38,-.45,;8.85,-.92,;4.77,-1.01,;3.62,-2.06,;2.18,-1.57,;1.85,-.08,;.38,.39,;-.75,-.64,;-.44,-2.13,;-2.23,-.17,;-2.7,1.3,;-1.81,2.54,;-2.43,3.96,;-1.53,5.19,;,5.19,;.47,6.66,;-.79,7.54,;-2.02,6.66,;-3.49,7.13,;-4.24,1.3,;-4.73,-.17,;-3.47,-1.06,;-3.47,-2.6,;-4.8,-3.39,;-6.13,-2.6,;-4.8,-4.92,;-3.47,-5.7,;-2.11,-4.92,;-2.11,-3.37,;-.58,-3.37,;2.99,.95,;4.44,.49,)|
Show InChI InChI=1S/C26H28Cl2N4O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(34)24-21(14-16-32-15-6-9-22(32)33)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,10-13H,3-4,6,9,14-16H2,1-2H3,(H,29,34)
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n/an/a 18n/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))		BDBM50153546
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-pyrrolidin-1-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN3CCCC3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.03,-3.46,;6.56,-2.99,;6.23,-1.5,;7.38,-.45,;8.85,-.92,;4.77,-1.01,;3.62,-2.06,;2.18,-1.57,;1.85,-.08,;.38,.39,;-.75,-.64,;-.44,-2.13,;-2.23,-.17,;-2.7,1.3,;-1.81,2.54,;-2.43,3.96,;-1.53,5.19,;,5.19,;.47,6.66,;-.79,7.54,;-2.02,6.66,;-3.49,7.13,;-4.24,1.3,;-4.73,-.17,;-3.47,-1.06,;-3.47,-2.6,;-4.8,-3.39,;-6.13,-2.6,;-4.8,-4.92,;-3.47,-5.7,;-2.11,-4.92,;-2.11,-3.37,;-.58,-3.37,;2.99,.95,;4.44,.49,)|
Show InChI InChI=1S/C26H28Cl2N4O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(34)24-21(14-16-32-15-6-9-22(32)33)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,10-13H,3-4,6,9,14-16H2,1-2H3,(H,29,34)
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n/an/a 18n/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))		BDBM50153552
PNG
(5-[2-(Acetyl-methyl-amino)-ethyl]-3-(2,6-dichloro-...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN(C)C(C)=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.06,-3.27,;6.59,-2.81,;6.26,-1.31,;7.4,-.26,;8.87,-.73,;4.79,-.82,;3.65,-1.87,;2.2,-1.38,;1.87,.11,;.4,.58,;-.74,-.45,;-.41,-1.94,;-2.21,.02,;-2.68,1.49,;-1.79,2.73,;-2.42,4.15,;-1.51,5.38,;.01,5.38,;-2,6.85,;-.93,7.94,;-3.47,7.32,;-4.22,1.49,;-4.71,.02,;-3.45,-.87,;-3.45,-2.41,;-4.78,-3.2,;-6.11,-2.41,;-4.78,-4.74,;-3.45,-5.51,;-2.09,-4.74,;-2.09,-3.18,;-.56,-3.18,;2.99,1.14,;4.46,.68,)|
Show InChI InChI=1S/C25H28Cl2N4O3/c1-5-31(6-2)18-12-10-17(11-13-18)28-25(33)23-21(14-15-30(4)16(3)32)34-29-24(23)22-19(26)8-7-9-20(22)27/h7-13H,5-6,14-15H2,1-4H3,(H,28,33)
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n/an/a 19n/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))		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 19n/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))		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 21n/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))		BDBM50153549
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxolan-2-yl-et...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.76,-.71,;7.29,-.24,;6.14,-1.29,;6.47,-2.78,;7.94,-3.25,;4.67,-.8,;3.53,-1.85,;2.08,-1.36,;1.75,.13,;.29,.6,;-.86,-.43,;-.53,-1.92,;-2.33,.04,;-2.8,1.51,;-1.91,2.75,;-2.54,4.17,;-1.63,5.41,;-.11,5.41,;.37,6.88,;-.88,7.75,;-2.12,6.88,;-4.34,1.51,;-4.82,.04,;-3.56,-.85,;-3.56,-2.39,;-2.22,-3.16,;-.68,-3.16,;-2.22,-4.72,;-3.56,-5.49,;-4.89,-4.72,;-4.89,-3.18,;-6.22,-2.39,;2.88,1.16,;4.35,.69,)|
Show InChI InChI=1S/C25H27Cl2N3O4/c1-3-30(4-2)17-10-8-16(9-11-17)28-25(31)23-20(12-13-21-32-14-15-33-21)34-29-24(23)22-18(26)6-5-7-19(22)27/h5-11,21H,3-4,12-15H2,1-2H3,(H,28,31)
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n/an/a 25n/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))		BDBM50153529
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-pyran-4-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3CCOCC3)onc2-c2c(Cl)cccc2Cl)cc1 |(7.94,-3.46,;6.47,-3.01,;6.14,-1.5,;7.29,-.45,;8.76,-.93,;4.67,-1.01,;3.53,-2.06,;2.08,-1.57,;1.75,-.08,;.29,.39,;-.86,-.64,;-.53,-2.13,;-2.33,-.17,;-2.8,1.28,;-1.91,2.54,;-2.54,3.96,;-1.63,5.2,;-2.26,6.58,;-1.35,7.82,;.17,7.66,;.8,6.27,;-.09,5.02,;-4.34,1.28,;-4.82,-.17,;-3.56,-1.07,;-3.56,-2.61,;-4.89,-3.39,;-6.22,-2.61,;-4.89,-4.93,;-3.56,-5.7,;-2.22,-4.93,;-2.22,-3.38,;-.68,-3.38,;2.88,.95,;4.35,.48,)|
Show InChI InChI=1S/C27H31Cl2N3O3/c1-3-32(4-2)20-11-9-19(10-12-20)30-27(33)25-23(13-8-18-14-16-34-17-15-18)35-31-26(25)24-21(28)6-5-7-22(24)29/h5-7,9-12,18H,3-4,8,13-17H2,1-2H3,(H,30,33)
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n/an/a 29n/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))		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 32n/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))		BDBM50153552
PNG
(5-[2-(Acetyl-methyl-amino)-ethyl]-3-(2,6-dichloro-...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN(C)C(C)=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.06,-3.27,;6.59,-2.81,;6.26,-1.31,;7.4,-.26,;8.87,-.73,;4.79,-.82,;3.65,-1.87,;2.2,-1.38,;1.87,.11,;.4,.58,;-.74,-.45,;-.41,-1.94,;-2.21,.02,;-2.68,1.49,;-1.79,2.73,;-2.42,4.15,;-1.51,5.38,;.01,5.38,;-2,6.85,;-.93,7.94,;-3.47,7.32,;-4.22,1.49,;-4.71,.02,;-3.45,-.87,;-3.45,-2.41,;-4.78,-3.2,;-6.11,-2.41,;-4.78,-4.74,;-3.45,-5.51,;-2.09,-4.74,;-2.09,-3.18,;-.56,-3.18,;2.99,1.14,;4.46,.68,)|
Show InChI InChI=1S/C25H28Cl2N4O3/c1-5-31(6-2)18-12-10-17(11-13-18)28-25(33)23-21(14-15-30(4)16(3)32)34-29-24(23)22-19(26)8-7-9-20(22)27/h7-13H,5-6,14-15H2,1-4H3,(H,28,33)
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n/an/a 34n/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))		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 39n/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))		BDBM50153542
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-pyran-2-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3CCCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(7.95,-3.46,;6.48,-3.01,;6.15,-1.5,;7.29,-.45,;8.76,-.93,;4.68,-1.01,;3.53,-2.06,;2.08,-1.57,;1.75,-.08,;.29,.39,;-.86,-.64,;-.53,-2.13,;-2.33,-.17,;-2.8,1.28,;-1.91,2.54,;-2.54,3.96,;-1.63,5.2,;-.09,5.02,;.8,6.27,;.17,7.67,;-1.35,7.83,;-2.27,6.58,;-4.34,1.28,;-4.83,-.17,;-3.56,-1.07,;-3.56,-2.62,;-4.9,-3.39,;-6.23,-2.62,;-4.9,-4.93,;-3.56,-5.71,;-2.22,-4.93,;-2.22,-3.39,;-.68,-3.39,;2.88,.95,;4.35,.48,)|
Show InChI InChI=1S/C27H31Cl2N3O3/c1-3-32(4-2)19-13-11-18(12-14-19)30-27(33)25-23(16-15-20-8-5-6-17-34-20)35-31-26(25)24-21(28)9-7-10-22(24)29/h7,9-14,20H,3-6,8,15-17H2,1-2H3,(H,30,33)
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n/an/a 39n/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))		BDBM50153551
PNG
(5-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(2,6-dichloro-...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCc3ccc4OCOc4c3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.6,-1.55,;7.13,-1.06,;5.98,-2.11,;6.31,-3.61,;7.77,-4.07,;4.52,-1.64,;3.37,-2.67,;1.92,-2.2,;1.59,-.69,;.1,-.22,;-1.03,-1.25,;-.7,-2.77,;-2.52,-.78,;-2.97,.69,;-2.07,1.93,;-2.7,3.33,;-1.8,4.6,;-2.43,6,;-1.54,7.26,;.01,7.1,;1.15,8.11,;2.48,7.35,;2.16,5.83,;.63,5.67,;-.27,4.43,;-4.51,.68,;-4.99,-.78,;-3.74,-1.68,;-3.73,-3.23,;-5.06,-4,;-6.4,-3.23,;-5.06,-5.55,;-3.73,-6.32,;-2.38,-5.55,;-2.38,-4,;-.84,-4,;2.72,.34,;4.18,-.12,)|
Show InChI InChI=1S/C29H27Cl2N3O4/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/h5-8,10-14,16H,3-4,9,15,17H2,1-2H3,(H,32,35)
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n/an/a 47n/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))		BDBM50153548
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(7.68,-1.98,;6.21,-1.49,;5.89,,;7.03,1.04,;8.5,.56,;4.43,.49,;4.09,1.98,;2.64,2.47,;1.5,1.45,;1.82,-.05,;3.27,-.54,;.05,1.91,;-1.1,.89,;-.77,-.63,;-2.57,1.35,;-3.05,2.82,;-2.15,4.06,;-4.59,2.8,;-5.06,1.35,;-3.8,.46,;-3.8,-1.08,;-2.47,-1.87,;-.93,-1.87,;-2.47,-3.41,;-3.8,-4.18,;-5.13,-3.41,;-5.13,-1.87,;-6.46,-1.08,)|
Show InChI InChI=1S/C21H27Cl2N3O2/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/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,24,27)/t14-,15-
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n/an/a 53n/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))		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 54n/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))		BDBM50153549
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxolan-2-yl-et...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.76,-.71,;7.29,-.24,;6.14,-1.29,;6.47,-2.78,;7.94,-3.25,;4.67,-.8,;3.53,-1.85,;2.08,-1.36,;1.75,.13,;.29,.6,;-.86,-.43,;-.53,-1.92,;-2.33,.04,;-2.8,1.51,;-1.91,2.75,;-2.54,4.17,;-1.63,5.41,;-.11,5.41,;.37,6.88,;-.88,7.75,;-2.12,6.88,;-4.34,1.51,;-4.82,.04,;-3.56,-.85,;-3.56,-2.39,;-2.22,-3.16,;-.68,-3.16,;-2.22,-4.72,;-3.56,-5.49,;-4.89,-4.72,;-4.89,-3.18,;-6.22,-2.39,;2.88,1.16,;4.35,.69,)|
Show InChI InChI=1S/C25H27Cl2N3O4/c1-3-30(4-2)17-10-8-16(9-11-17)28-25(31)23-20(12-13-21-32-14-15-33-21)34-29-24(23)22-18(26)6-5-7-19(22)27/h5-11,21H,3-4,12-15H2,1-2H3,(H,28,31)
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n/an/a 56n/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))		BDBM50153537
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-furan-2-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3CCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(7.94,-3.25,;6.47,-2.78,;6.14,-1.29,;7.29,-.24,;8.76,-.71,;4.67,-.8,;3.53,-1.85,;2.08,-1.36,;1.75,.13,;.29,.6,;-.86,-.43,;-.53,-1.92,;-2.33,.04,;-2.8,1.51,;-1.91,2.75,;-2.54,4.17,;-1.63,5.41,;-.11,5.41,;.37,6.88,;-.88,7.75,;-2.12,6.88,;-4.34,1.51,;-4.82,.04,;-3.56,-.85,;-3.56,-2.39,;-2.22,-3.16,;-.68,-3.16,;-2.22,-4.72,;-3.56,-5.49,;-4.89,-4.72,;-4.89,-3.18,;-6.22,-2.39,;2.88,1.16,;4.35,.69,)|
Show InChI InChI=1S/C26H29Cl2N3O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(32)24-22(15-14-19-7-6-16-33-19)34-30-25(24)23-20(27)8-5-9-21(23)28/h5,8-13,19H,3-4,6-7,14-16H2,1-2H3,(H,29,32)
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n/an/a 57n/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))		BDBM50153537
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-furan-2-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3CCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(7.94,-3.25,;6.47,-2.78,;6.14,-1.29,;7.29,-.24,;8.76,-.71,;4.67,-.8,;3.53,-1.85,;2.08,-1.36,;1.75,.13,;.29,.6,;-.86,-.43,;-.53,-1.92,;-2.33,.04,;-2.8,1.51,;-1.91,2.75,;-2.54,4.17,;-1.63,5.41,;-.11,5.41,;.37,6.88,;-.88,7.75,;-2.12,6.88,;-4.34,1.51,;-4.82,.04,;-3.56,-.85,;-3.56,-2.39,;-2.22,-3.16,;-.68,-3.16,;-2.22,-4.72,;-3.56,-5.49,;-4.89,-4.72,;-4.89,-3.18,;-6.22,-2.39,;2.88,1.16,;4.35,.69,)|
Show InChI InChI=1S/C26H29Cl2N3O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(32)24-22(15-14-19-7-6-16-33-19)34-30-25(24)23-20(27)8-5-9-21(23)28/h5,8-13,19H,3-4,6-7,14-16H2,1-2H3,(H,29,32)
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n/an/a 57n/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))		BDBM50153548
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(7.68,-1.98,;6.21,-1.49,;5.89,,;7.03,1.04,;8.5,.56,;4.43,.49,;4.09,1.98,;2.64,2.47,;1.5,1.45,;1.82,-.05,;3.27,-.54,;.05,1.91,;-1.1,.89,;-.77,-.63,;-2.57,1.35,;-3.05,2.82,;-2.15,4.06,;-4.59,2.8,;-5.06,1.35,;-3.8,.46,;-3.8,-1.08,;-2.47,-1.87,;-.93,-1.87,;-2.47,-3.41,;-3.8,-4.18,;-5.13,-3.41,;-5.13,-1.87,;-6.46,-1.08,)|
Show InChI InChI=1S/C21H27Cl2N3O2/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/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,24,27)/t14-,15-
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n/an/a 57n/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))		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 87n/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))		BDBM50153551
PNG
(5-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(2,6-dichloro-...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCc3ccc4OCOc4c3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.6,-1.55,;7.13,-1.06,;5.98,-2.11,;6.31,-3.61,;7.77,-4.07,;4.52,-1.64,;3.37,-2.67,;1.92,-2.2,;1.59,-.69,;.1,-.22,;-1.03,-1.25,;-.7,-2.77,;-2.52,-.78,;-2.97,.69,;-2.07,1.93,;-2.7,3.33,;-1.8,4.6,;-2.43,6,;-1.54,7.26,;.01,7.1,;1.15,8.11,;2.48,7.35,;2.16,5.83,;.63,5.67,;-.27,4.43,;-4.51,.68,;-4.99,-.78,;-3.74,-1.68,;-3.73,-3.23,;-5.06,-4,;-6.4,-3.23,;-5.06,-5.55,;-3.73,-6.32,;-2.38,-5.55,;-2.38,-4,;-.84,-4,;2.72,.34,;4.18,-.12,)|
Show InChI InChI=1S/C29H27Cl2N3O4/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/h5-8,10-14,16H,3-4,9,15,17H2,1-2H3,(H,32,35)
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n/an/a 93n/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))		BDBM50153541
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-oxo-pyrrolidin-1-ylme...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CN3CCCC3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(9.15,-.52,;7.68,-.05,;6.54,-1.1,;6.87,-2.61,;8.34,-3.06,;5.09,-.63,;4.74,.89,;3.27,1.35,;2.15,.3,;.66,.79,;-.46,-.26,;-.13,-1.75,;-1.93,.23,;-2.4,1.68,;-1.49,2.94,;-2.14,4.36,;-1.35,5.69,;-2.4,6.83,;-3.82,6.2,;-3.64,4.64,;-4.78,3.63,;-3.94,1.68,;-4.41,.23,;-3.17,-.66,;-3.15,-2.2,;-1.82,-2.99,;-.28,-2.99,;-1.82,-4.53,;-3.15,-5.3,;-4.48,-4.53,;-4.48,-2.99,;-5.81,-2.2,;2.47,-1.19,;3.94,-1.66,)|
Show InChI InChI=1S/C25H26Cl2N4O3/c1-3-30(4-2)17-12-10-16(11-13-17)28-25(33)23-20(15-31-14-6-9-21(31)32)34-29-24(23)22-18(26)7-5-8-19(22)27/h5,7-8,10-13H,3-4,6,9,14-15H2,1-2H3,(H,28,33)
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n/an/a 98n/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))		BDBM50153542
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-pyran-2-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3CCCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(7.95,-3.46,;6.48,-3.01,;6.15,-1.5,;7.29,-.45,;8.76,-.93,;4.68,-1.01,;3.53,-2.06,;2.08,-1.57,;1.75,-.08,;.29,.39,;-.86,-.64,;-.53,-2.13,;-2.33,-.17,;-2.8,1.28,;-1.91,2.54,;-2.54,3.96,;-1.63,5.2,;-.09,5.02,;.8,6.27,;.17,7.67,;-1.35,7.83,;-2.27,6.58,;-4.34,1.28,;-4.83,-.17,;-3.56,-1.07,;-3.56,-2.62,;-4.9,-3.39,;-6.23,-2.62,;-4.9,-4.93,;-3.56,-5.71,;-2.22,-4.93,;-2.22,-3.39,;-.68,-3.39,;2.88,.95,;4.35,.48,)|
Show InChI InChI=1S/C27H31Cl2N3O3/c1-3-32(4-2)19-13-11-18(12-14-19)30-27(33)25-23(16-15-20-8-5-6-17-34-20)35-31-26(25)24-21(28)9-7-10-22(24)29/h7,9-14,20H,3-6,8,15-17H2,1-2H3,(H,30,33)
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n/an/a 102n/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))		BDBM50153530
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-furan-2-y...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCC2CCCO2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.74,-.75,;7.27,-.26,;6.13,-1.3,;6.44,-2.8,;7.91,-3.28,;4.67,-.82,;4.34,.69,;2.87,1.16,;1.75,.14,;2.06,-1.37,;3.52,-1.84,;.29,.61,;-.85,-.4,;-.53,-1.92,;-2.32,.05,;-2.8,1.51,;-1.9,2.75,;-2.53,4.16,;-1.63,5.4,;-.11,5.4,;.37,6.87,;-.88,7.74,;-2.11,6.87,;-4.33,1.51,;-4.81,.05,;-3.56,-.85,;-3.56,-2.38,;-2.21,-3.15,;-.68,-3.15,;-2.21,-4.71,;-3.56,-5.47,;-4.88,-4.71,;-4.88,-3.15,;-6.21,-2.38,)|
Show InChI InChI=1S/C26H35Cl2N3O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(32)24-22(15-14-19-7-6-16-33-19)34-30-25(24)23-20(27)8-5-9-21(23)28/h5,8-9,17-19H,3-4,6-7,10-16H2,1-2H3,(H,29,32)/t17-,18-,19?
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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))		BDBM50153544
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-methoxy-ethyl)-isoxaz...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCOC)onc2-c2c(Cl)cccc2Cl)cc1 |(7.92,-2.61,;6.45,-2.13,;6.12,-.64,;7.28,.41,;8.73,-.05,;4.67,-.15,;3.51,-1.2,;2.06,-.71,;1.73,.79,;.26,1.25,;-.88,.23,;-.55,-1.27,;-2.35,.69,;-2.82,2.16,;-1.93,3.4,;-2.56,4.82,;-1.65,6.06,;-2.28,7.46,;-4.36,2.16,;-4.85,.68,;-3.59,-.21,;-3.59,-1.75,;-4.92,-2.53,;-6.25,-1.75,;-4.92,-4.07,;-3.59,-4.84,;-2.23,-4.07,;-2.23,-2.5,;-.69,-2.5,;2.85,1.81,;4.32,1.35,)|
Show InChI InChI=1S/C23H25Cl2N3O3/c1-4-28(5-2)16-11-9-15(10-12-16)26-23(29)21-19(13-14-30-3)31-27-22(21)20-17(24)7-6-8-18(20)25/h6-12H,4-5,13-14H2,1-3H3,(H,26,29)
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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))		BDBM50153544
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-methoxy-ethyl)-isoxaz...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCOC)onc2-c2c(Cl)cccc2Cl)cc1 |(7.92,-2.61,;6.45,-2.13,;6.12,-.64,;7.28,.41,;8.73,-.05,;4.67,-.15,;3.51,-1.2,;2.06,-.71,;1.73,.79,;.26,1.25,;-.88,.23,;-.55,-1.27,;-2.35,.69,;-2.82,2.16,;-1.93,3.4,;-2.56,4.82,;-1.65,6.06,;-2.28,7.46,;-4.36,2.16,;-4.85,.68,;-3.59,-.21,;-3.59,-1.75,;-4.92,-2.53,;-6.25,-1.75,;-4.92,-4.07,;-3.59,-4.84,;-2.23,-4.07,;-2.23,-2.5,;-.69,-2.5,;2.85,1.81,;4.32,1.35,)|
Show InChI InChI=1S/C23H25Cl2N3O3/c1-4-28(5-2)16-11-9-15(10-12-16)26-23(29)21-19(13-14-30-3)31-27-22(21)20-17(24)7-6-8-18(20)25/h6-12H,4-5,13-14H2,1-3H3,(H,26,29)
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n/an/a 115n/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))		BDBM50153541
PNG
(3-(2,6-Dichloro-phenyl)-5-(2-oxo-pyrrolidin-1-ylme...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CN3CCCC3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(9.15,-.52,;7.68,-.05,;6.54,-1.1,;6.87,-2.61,;8.34,-3.06,;5.09,-.63,;4.74,.89,;3.27,1.35,;2.15,.3,;.66,.79,;-.46,-.26,;-.13,-1.75,;-1.93,.23,;-2.4,1.68,;-1.49,2.94,;-2.14,4.36,;-1.35,5.69,;-2.4,6.83,;-3.82,6.2,;-3.64,4.64,;-4.78,3.63,;-3.94,1.68,;-4.41,.23,;-3.17,-.66,;-3.15,-2.2,;-1.82,-2.99,;-.28,-2.99,;-1.82,-4.53,;-3.15,-5.3,;-4.48,-4.53,;-4.48,-2.99,;-5.81,-2.2,;2.47,-1.19,;3.94,-1.66,)|
Show InChI InChI=1S/C25H26Cl2N4O3/c1-3-30(4-2)17-12-10-16(11-13-17)28-25(33)23-20(15-31-14-6-9-21(31)32)34-29-24(23)22-18(26)7-5-8-19(22)27/h5,7-8,10-13H,3-4,6,9,14-15H2,1-2H3,(H,28,33)
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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))		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 |(7.8,-1.79,;6.33,-1.35,;5.95,.15,;7.07,1.22,;6.73,2.7,;4.47,.6,;3.4,-.45,;1.89,-.05,;1.51,1.42,;.02,1.81,;-1.09,.71,;-.67,-.78,;-2.57,1.11,;-2.95,2.6,;-2.02,3.81,;-4.5,2.67,;-5.04,1.23,;-3.84,.26,;-3.76,-1.28,;-2.39,-1.98,;-.84,-1.98,;-2.32,-3.53,;-3.58,-4.37,;-4.97,-3.67,;-5.06,-2.12,;-6.44,-1.45,;2.6,2.51,;4.05,2.12,)|
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)
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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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50153532
PNG
(3-(2,6-Dichloro-phenyl)-5-propyl-isoxazole-4-carbo...)
Show SMILES CCCc1onc(c1C(=O)Nc1ccc(cc1)N(CC)CC)-c1c(Cl)cccc1Cl |(-1.72,6.32,;-2.63,5.06,;-2,3.66,;-2.89,2.4,;-4.43,2.4,;-4.92,.93,;-3.66,.04,;-2.42,.95,;-.95,.46,;-.62,-1.03,;.19,1.51,;1.66,1.02,;2.78,2.07,;4.25,1.6,;4.58,.09,;3.44,-.94,;1.98,-.47,;6.05,-.38,;7.19,.65,;8.66,.18,;6.38,-1.9,;7.85,-2.36,;-3.66,-1.5,;-2.31,-2.27,;-.77,-2.27,;-2.31,-3.81,;-3.66,-4.58,;-4.99,-3.81,;-4.99,-2.27,;-6.32,-1.5,)|
Show InChI InChI=1S/C23H25Cl2N3O2/c1-4-8-19-21(22(27-30-19)20-17(24)9-7-10-18(20)25)23(29)26-15-11-13-16(14-12-15)28(5-2)6-3/h7,9-14H,4-6,8H2,1-3H3,(H,26,29)
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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))		BDBM50153540
PNG
(3-(2,6-Dichloro-phenyl)-5-(3-hydroxy-propyl)-isoxa...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCCO)onc2-c2c(Cl)cccc2Cl)cc1 |(7.92,-2.61,;6.45,-2.13,;6.12,-.64,;7.28,.41,;8.73,-.05,;4.67,-.15,;4.32,1.35,;2.85,1.81,;1.73,.79,;.26,1.25,;-.88,.23,;-.55,-1.27,;-2.35,.69,;-2.82,2.16,;-1.93,3.4,;-2.56,4.82,;-1.65,6.06,;-2.28,7.46,;-4.36,2.16,;-4.85,.68,;-3.59,-.21,;-3.59,-1.75,;-4.92,-2.53,;-6.25,-1.75,;-4.92,-4.07,;-3.59,-4.84,;-2.23,-4.07,;-2.23,-2.5,;-.69,-2.5,;2.06,-.71,;3.51,-1.2,)|
Show InChI InChI=1S/C23H25Cl2N3O3/c1-3-28(4-2)16-12-10-15(11-13-16)26-23(30)21-19(9-6-14-29)31-27-22(21)20-17(24)7-5-8-18(20)25/h5,7-8,10-13,29H,3-4,6,9,14H2,1-2H3,(H,26,30)
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n/an/a 132n/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))		BDBM50153539
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-piperidin-1-yl...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCN2CCCCC2=O)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.03,-3.69,;6.56,-3.2,;6.24,-1.71,;7.38,-.66,;8.85,-1.15,;4.78,-1.22,;4.44,.28,;2.99,.76,;1.85,-.26,;2.17,-1.78,;3.62,-2.25,;.4,.2,;-.75,-.82,;-.42,-2.33,;-2.22,-.36,;-2.7,1.11,;-1.8,2.36,;-2.43,3.77,;-1.53,5.01,;.01,4.85,;.91,6.11,;.28,7.47,;-1.25,7.64,;-2.16,6.41,;-3.69,6.57,;-4.24,1.1,;-4.71,-.36,;-3.45,-1.26,;-3.45,-2.8,;-4.78,-3.57,;-6.11,-2.8,;-4.78,-5.11,;-3.45,-5.89,;-2.12,-5.11,;-2.12,-3.57,;-.58,-3.57,)|
Show InChI InChI=1S/C27H36Cl2N4O3/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/h7-9,18-19H,3-6,10-17H2,1-2H3,(H,30,35)/t18-,19-
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n/an/a 139n/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))		BDBM50153529
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-pyran-4-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3CCOCC3)onc2-c2c(Cl)cccc2Cl)cc1 |(7.94,-3.46,;6.47,-3.01,;6.14,-1.5,;7.29,-.45,;8.76,-.93,;4.67,-1.01,;3.53,-2.06,;2.08,-1.57,;1.75,-.08,;.29,.39,;-.86,-.64,;-.53,-2.13,;-2.33,-.17,;-2.8,1.28,;-1.91,2.54,;-2.54,3.96,;-1.63,5.2,;-2.26,6.58,;-1.35,7.82,;.17,7.66,;.8,6.27,;-.09,5.02,;-4.34,1.28,;-4.82,-.17,;-3.56,-1.07,;-3.56,-2.61,;-4.89,-3.39,;-6.22,-2.61,;-4.89,-4.93,;-3.56,-5.7,;-2.22,-4.93,;-2.22,-3.38,;-.68,-3.38,;2.88,.95,;4.35,.48,)|
Show InChI InChI=1S/C27H31Cl2N3O3/c1-3-32(4-2)20-11-9-19(10-12-20)30-27(33)25-23(13-8-18-14-16-34-17-15-18)35-31-26(25)24-21(28)6-5-7-22(24)29/h5-7,9-12,18H,3-4,8,13-17H2,1-2H3,(H,30,33)
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n/an/a 146n/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))		BDBM50153538
PNG
(3-(2,6-Dichloro-phenyl)-5-ethyl-isoxazole-4-carbox...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CC)onc2-c2c(Cl)cccc2Cl)cc1 |(8.61,.39,;7.14,.86,;6,-.17,;6.32,-1.68,;7.79,-2.15,;4.53,.3,;4.2,1.81,;2.71,2.28,;1.59,1.24,;.14,1.72,;-1.02,.68,;-.68,-.82,;-2.47,1.16,;-2.96,2.61,;-2.05,3.87,;-2.7,5.27,;-4.5,2.61,;-4.97,1.16,;-3.71,.26,;-3.71,-1.29,;-2.37,-2.05,;-.83,-2.05,;-2.37,-3.6,;-3.71,-4.36,;-5.04,-3.6,;-5.04,-2.05,;-6.37,-1.29,;1.92,-.26,;3.38,-.73,)|
Show InChI InChI=1S/C22H23Cl2N3O2/c1-4-18-20(21(26-29-18)19-16(23)8-7-9-17(19)24)22(28)25-14-10-12-15(13-11-14)27(5-2)6-3/h7-13H,4-6H2,1-3H3,(H,25,28)
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n/an/a 147n/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))		BDBM50153543
PNG
(3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazole-4-ca...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(8.62,.25,;7.15,.72,;6,-.31,;6.35,-1.82,;7.8,-2.29,;4.53,.16,;3.39,-.87,;1.94,-.4,;1.62,1.1,;.15,1.58,;-1,.54,;-.67,-.96,;-2.47,1.02,;-2.93,2.47,;-4.47,2.47,;-4.96,1,;-3.7,.12,;-3.7,-1.43,;-2.35,-2.2,;-.81,-2.2,;-2.35,-3.74,;-3.7,-4.51,;-5.03,-3.74,;-5.03,-2.2,;-6.35,-1.43,;-2.05,3.73,;-2.68,5.13,;-.55,4.12,;2.74,2.14,;4.21,1.67,)|
Show InChI InChI=1S/C23H25Cl2N3O2/c1-5-28(6-2)16-12-10-15(11-13-16)26-23(29)20-21(27-30-22(20)14(3)4)19-17(24)8-7-9-18(19)25/h7-14H,5-6H2,1-4H3,(H,26,29)
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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))		BDBM50153550
PNG
(5-(2-Benzo[1,3]dioxol-4-yl-ethyl)-3-(2,6-dichloro-...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCc3cccc4OCOc34)onc2-c2c(Cl)cccc2Cl)cc1 |(8.18,-4.11,;6.71,-3.64,;6.38,-2.15,;7.53,-1.1,;8.99,-1.58,;4.92,-1.68,;3.78,-2.71,;2.33,-2.24,;2,-.73,;.54,-.26,;-.61,-1.29,;-.28,-2.8,;-2.07,-.82,;-2.54,.64,;-1.65,1.88,;-2.28,3.29,;-1.37,4.54,;.16,4.37,;1.05,5.63,;.43,7.03,;-1.12,7.17,;-2.03,8.4,;-3.47,7.91,;-3.47,6.4,;-2,5.93,;-4.08,.63,;-4.56,-.82,;-3.32,-1.72,;-3.3,-3.26,;-4.63,-4.03,;-5.96,-3.26,;-4.63,-5.58,;-3.3,-6.34,;-1.96,-5.58,;-1.96,-4.03,;-.42,-4.03,;3.13,.3,;4.59,-.17,)|
Show InChI InChI=1S/C29H27Cl2N3O4/c1-3-34(4-2)20-14-12-19(13-15-20)32-29(35)26-23(16-11-18-7-5-10-24-28(18)37-17-36-24)38-33-27(26)25-21(30)8-6-9-22(25)31/h5-10,12-15H,3-4,11,16-17H2,1-2H3,(H,32,35)
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n/an/a 162n/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))		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 |(7.8,-1.79,;6.33,-1.35,;5.95,.15,;7.07,1.22,;6.73,2.7,;4.47,.6,;3.4,-.45,;1.89,-.05,;1.51,1.42,;.02,1.81,;-1.09,.71,;-.67,-.78,;-2.57,1.11,;-2.95,2.6,;-2.02,3.81,;-4.5,2.67,;-5.04,1.23,;-3.84,.26,;-3.76,-1.28,;-2.39,-1.98,;-.84,-1.98,;-2.32,-3.53,;-3.58,-4.37,;-4.97,-3.67,;-5.06,-2.12,;-6.44,-1.45,;2.6,2.51,;4.05,2.12,)|
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)
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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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50153539
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-piperidin-1-yl...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCN2CCCCC2=O)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.03,-3.69,;6.56,-3.2,;6.24,-1.71,;7.38,-.66,;8.85,-1.15,;4.78,-1.22,;4.44,.28,;2.99,.76,;1.85,-.26,;2.17,-1.78,;3.62,-2.25,;.4,.2,;-.75,-.82,;-.42,-2.33,;-2.22,-.36,;-2.7,1.11,;-1.8,2.36,;-2.43,3.77,;-1.53,5.01,;.01,4.85,;.91,6.11,;.28,7.47,;-1.25,7.64,;-2.16,6.41,;-3.69,6.57,;-4.24,1.1,;-4.71,-.36,;-3.45,-1.26,;-3.45,-2.8,;-4.78,-3.57,;-6.11,-2.8,;-4.78,-5.11,;-3.45,-5.89,;-2.12,-5.11,;-2.12,-3.57,;-.58,-3.57,)|
Show InChI InChI=1S/C27H36Cl2N4O3/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/h7-9,18-19H,3-6,10-17H2,1-2H3,(H,30,35)/t18-,19-
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n/an/a 190n/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))		BDBM50153530
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-furan-2-y...)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCC2CCCO2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.74,-.75,;7.27,-.26,;6.13,-1.3,;6.44,-2.8,;7.91,-3.28,;4.67,-.82,;4.34,.69,;2.87,1.16,;1.75,.14,;2.06,-1.37,;3.52,-1.84,;.29,.61,;-.85,-.4,;-.53,-1.92,;-2.32,.05,;-2.8,1.51,;-1.9,2.75,;-2.53,4.16,;-1.63,5.4,;-.11,5.4,;.37,6.87,;-.88,7.74,;-2.11,6.87,;-4.33,1.51,;-4.81,.05,;-3.56,-.85,;-3.56,-2.38,;-2.21,-3.15,;-.68,-3.15,;-2.21,-4.71,;-3.56,-5.47,;-4.88,-4.71,;-4.88,-3.15,;-6.21,-2.38,)|
Show InChI InChI=1S/C26H35Cl2N3O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(32)24-22(15-14-19-7-6-16-33-19)34-30-25(24)23-20(27)8-5-9-21(23)28/h5,8-9,17-19H,3-4,6-7,10-16H2,1-2H3,(H,29,32)/t17-,18-,19?
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n/an/a 194n/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))		BDBM50153540
PNG
(3-(2,6-Dichloro-phenyl)-5-(3-hydroxy-propyl)-isoxa...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCCO)onc2-c2c(Cl)cccc2Cl)cc1 |(7.92,-2.61,;6.45,-2.13,;6.12,-.64,;7.28,.41,;8.73,-.05,;4.67,-.15,;4.32,1.35,;2.85,1.81,;1.73,.79,;.26,1.25,;-.88,.23,;-.55,-1.27,;-2.35,.69,;-2.82,2.16,;-1.93,3.4,;-2.56,4.82,;-1.65,6.06,;-2.28,7.46,;-4.36,2.16,;-4.85,.68,;-3.59,-.21,;-3.59,-1.75,;-4.92,-2.53,;-6.25,-1.75,;-4.92,-4.07,;-3.59,-4.84,;-2.23,-4.07,;-2.23,-2.5,;-.69,-2.5,;2.06,-.71,;3.51,-1.2,)|
Show InChI InChI=1S/C23H25Cl2N3O3/c1-3-28(4-2)16-12-10-15(11-13-16)26-23(30)21-19(9-6-14-29)31-27-22(21)20-17(24)7-5-8-18(20)25/h5,7-8,10-13,29H,3-4,6,9,14H2,1-2H3,(H,26,30)
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n/an/a 308n/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))		BDBM50153538
PNG
(3-(2,6-Dichloro-phenyl)-5-ethyl-isoxazole-4-carbox...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CC)onc2-c2c(Cl)cccc2Cl)cc1 |(8.61,.39,;7.14,.86,;6,-.17,;6.32,-1.68,;7.79,-2.15,;4.53,.3,;4.2,1.81,;2.71,2.28,;1.59,1.24,;.14,1.72,;-1.02,.68,;-.68,-.82,;-2.47,1.16,;-2.96,2.61,;-2.05,3.87,;-2.7,5.27,;-4.5,2.61,;-4.97,1.16,;-3.71,.26,;-3.71,-1.29,;-2.37,-2.05,;-.83,-2.05,;-2.37,-3.6,;-3.71,-4.36,;-5.04,-3.6,;-5.04,-2.05,;-6.37,-1.29,;1.92,-.26,;3.38,-.73,)|
Show InChI InChI=1S/C22H23Cl2N3O2/c1-4-18-20(21(26-29-18)19-16(23)8-7-9-17(19)24)22(28)25-14-10-12-15(13-11-14)27(5-2)6-3/h7-13H,4-6H2,1-3H3,(H,25,28)
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n/an/a 319n/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))		BDBM50153533
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-methoxy-phenyl)-et...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCc3ccccc3OC)onc2-c2c(Cl)cccc2Cl)cc1 |(8.98,-1.26,;7.5,-.79,;6.37,-1.83,;6.68,-3.34,;8.17,-3.8,;4.91,-1.35,;3.76,-2.39,;2.31,-1.91,;1.97,-.4,;.51,.06,;-.65,-.98,;-.3,-2.47,;-2.1,-.5,;-2.58,.96,;-1.67,2.21,;-2.3,3.62,;-1.4,4.87,;.14,4.71,;1.03,5.95,;.4,7.35,;-1.16,7.49,;-2.03,6.27,;-3.56,6.42,;-4.46,5.17,;-4.11,.96,;-4.59,-.51,;-3.34,-1.4,;-3.33,-2.94,;-4.66,-3.72,;-5.99,-2.94,;-4.66,-5.26,;-3.33,-6.03,;-1.98,-5.26,;-1.98,-3.71,;-.46,-3.71,;3.11,.62,;4.56,.16,)|
Show InChI InChI=1S/C29H29Cl2N3O3/c1-4-34(5-2)21-16-14-20(15-17-21)32-29(35)27-25(18-13-19-9-6-7-12-24(19)36-3)37-33-28(27)26-22(30)10-8-11-23(26)31/h6-12,14-17H,4-5,13,18H2,1-3H3,(H,32,35)
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n/an/a 389n/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))		BDBM50153532
PNG
(3-(2,6-Dichloro-phenyl)-5-propyl-isoxazole-4-carbo...)
Show SMILES CCCc1onc(c1C(=O)Nc1ccc(cc1)N(CC)CC)-c1c(Cl)cccc1Cl |(-1.72,6.32,;-2.63,5.06,;-2,3.66,;-2.89,2.4,;-4.43,2.4,;-4.92,.93,;-3.66,.04,;-2.42,.95,;-.95,.46,;-.62,-1.03,;.19,1.51,;1.66,1.02,;2.78,2.07,;4.25,1.6,;4.58,.09,;3.44,-.94,;1.98,-.47,;6.05,-.38,;7.19,.65,;8.66,.18,;6.38,-1.9,;7.85,-2.36,;-3.66,-1.5,;-2.31,-2.27,;-.77,-2.27,;-2.31,-3.81,;-3.66,-4.58,;-4.99,-3.81,;-4.99,-2.27,;-6.32,-1.5,)|
Show InChI InChI=1S/C23H25Cl2N3O2/c1-4-8-19-21(22(27-30-19)20-17(24)9-7-10-18(20)25)23(29)26-15-11-13-16(14-12-15)28(5-2)6-3/h7,9-14H,4-6,8H2,1-3H3,(H,26,29)
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n/an/a 492n/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))		BDBM50153550
PNG
(5-(2-Benzo[1,3]dioxol-4-yl-ethyl)-3-(2,6-dichloro-...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCc3cccc4OCOc34)onc2-c2c(Cl)cccc2Cl)cc1 |(8.18,-4.11,;6.71,-3.64,;6.38,-2.15,;7.53,-1.1,;8.99,-1.58,;4.92,-1.68,;3.78,-2.71,;2.33,-2.24,;2,-.73,;.54,-.26,;-.61,-1.29,;-.28,-2.8,;-2.07,-.82,;-2.54,.64,;-1.65,1.88,;-2.28,3.29,;-1.37,4.54,;.16,4.37,;1.05,5.63,;.43,7.03,;-1.12,7.17,;-2.03,8.4,;-3.47,7.91,;-3.47,6.4,;-2,5.93,;-4.08,.63,;-4.56,-.82,;-3.32,-1.72,;-3.3,-3.26,;-4.63,-4.03,;-5.96,-3.26,;-4.63,-5.58,;-3.3,-6.34,;-1.96,-5.58,;-1.96,-4.03,;-.42,-4.03,;3.13,.3,;4.59,-.17,)|
Show InChI InChI=1S/C29H27Cl2N3O4/c1-3-34(4-2)20-14-12-19(13-15-20)32-29(35)26-23(16-11-18-7-5-10-24-28(18)37-17-36-24)38-33-27(26)25-21(30)8-6-9-22(25)31/h5-10,12-15H,3-4,11,16-17H2,1-2H3,(H,32,35)
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n/an/a 564n/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))		BDBM50153533
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-methoxy-phenyl)-et...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCc3ccccc3OC)onc2-c2c(Cl)cccc2Cl)cc1 |(8.98,-1.26,;7.5,-.79,;6.37,-1.83,;6.68,-3.34,;8.17,-3.8,;4.91,-1.35,;3.76,-2.39,;2.31,-1.91,;1.97,-.4,;.51,.06,;-.65,-.98,;-.3,-2.47,;-2.1,-.5,;-2.58,.96,;-1.67,2.21,;-2.3,3.62,;-1.4,4.87,;.14,4.71,;1.03,5.95,;.4,7.35,;-1.16,7.49,;-2.03,6.27,;-3.56,6.42,;-4.46,5.17,;-4.11,.96,;-4.59,-.51,;-3.34,-1.4,;-3.33,-2.94,;-4.66,-3.72,;-5.99,-2.94,;-4.66,-5.26,;-3.33,-6.03,;-1.98,-5.26,;-1.98,-3.71,;-.46,-3.71,;3.11,.62,;4.56,.16,)|
Show InChI InChI=1S/C29H29Cl2N3O3/c1-4-34(5-2)21-16-14-20(15-17-21)32-29(35)27-25(18-13-19-9-6-7-12-24(19)36-3)37-33-28(27)26-22(30)10-8-11-23(26)31/h6-12,14-17H,4-5,13,18H2,1-3H3,(H,32,35)
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n/an/a 714n/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))		BDBM50153543
PNG
(3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazole-4-ca...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(8.62,.25,;7.15,.72,;6,-.31,;6.35,-1.82,;7.8,-2.29,;4.53,.16,;3.39,-.87,;1.94,-.4,;1.62,1.1,;.15,1.58,;-1,.54,;-.67,-.96,;-2.47,1.02,;-2.93,2.47,;-4.47,2.47,;-4.96,1,;-3.7,.12,;-3.7,-1.43,;-2.35,-2.2,;-.81,-2.2,;-2.35,-3.74,;-3.7,-4.51,;-5.03,-3.74,;-5.03,-2.2,;-6.35,-1.43,;-2.05,3.73,;-2.68,5.13,;-.55,4.12,;2.74,2.14,;4.21,1.67,)|
Show InChI InChI=1S/C23H25Cl2N3O2/c1-5-28(6-2)16-12-10-15(11-13-16)26-23(29)20-21(27-30-22(20)14(3)4)19-17(24)8-7-9-18(19)25/h7-14H,5-6H2,1-4H3,(H,26,29)
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n/an/a 861n/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
* indicates data uncertainty>20%