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Patent code US8546435

Compile Data Set for Download or QSAR
Found 9 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))		BDBM102975
PNG
(US8546435, 3)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C38H36N8O3/c1-24(47)42-34(19-26-21-40-31-11-5-3-9-29(26)31)36-44-45-37(46(36)23-25-14-16-28(49-2)17-15-25)35(43-38(48)33-13-7-8-18-39-33)20-27-22-41-32-12-6-4-10-30(27)32/h3-18,21-22,34-35,40-41H,19-20,23H2,1-2H3,(H,42,47)(H,43,48)/t34-,35-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM102976
PNG
(US8546435, 4)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 |r|
Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM102980
PNG
(US8546435, 8)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C36H40N8O3/c1-22(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-43-34(44(33)21-23-13-15-26(47-4)16-14-23)32(41-35(46)36(2,3)37)18-25-20-39-30-12-8-6-10-28(25)30/h5-16,19-20,31-32,38-39H,17-18,21,37H2,1-4H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM102978
PNG
(US8546435, 6)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 |r|
Show InChI InChI=1S/C32H34N6O4/c1-21(40)34-28(16-22-8-4-3-5-9-22)31-36-37-32(38(31)19-23-12-14-25(42-2)15-13-23)29(35-30(41)20-39)17-24-18-33-27-11-7-6-10-26(24)27/h3-15,18,28-29,33,39H,16-17,19-20H2,1-2H3,(H,34,40)(H,35,41)/t28-,29-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM102981
PNG
(US8546435, 9)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2c[nH]c3ccccc23)NC=O)cc1 |r|
Show InChI InChI=1S/C35H38N8O3/c1-35(2,36)34(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-41-32(43(33)20-22-12-14-25(46-3)15-13-22)30(39-21-44)16-23-18-37-28-10-6-4-8-26(23)28/h4-15,18-19,21,30-31,37-38H,16-17,20,36H2,1-3H3,(H,39,44)(H,40,45)/t30-,31-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM102979
PNG
(US8546435, 7)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C35H39N7O4/c1-23(43)38-30(18-24-8-4-3-5-9-24)33-40-41-34(42(33)22-25-12-14-27(45-2)15-13-25)31(39-35(44)32-21-36-16-17-46-32)19-26-20-37-29-11-7-6-10-28(26)29/h3-15,20,30-32,36-37H,16-19,21-22H2,1-2H3,(H,38,43)(H,39,44)/t30-,31-,32+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM102977
PNG
(US8546435, 5)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 |r|
Show InChI InChI=1S/C35H33N7O3/c1-45-27-16-14-25(15-17-27)22-42-33(31(38-23-43)19-24-9-3-2-4-10-24)40-41-34(42)32(39-35(44)30-13-7-8-18-36-30)20-26-21-37-29-12-6-5-11-28(26)29/h2-18,21,23,31-32,37H,19-20,22H2,1H3,(H,38,43)(H,39,44)/t31-,32-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM102983
PNG
(US8546435, 17)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1 |r|
Show InChI InChI=1S/C33H37N5O3/c1-23(2)22-41-33(39)35-30(19-26-20-34-29-12-8-7-11-28(26)29)32-37-36-31(18-15-24-9-5-4-6-10-24)38(32)21-25-13-16-27(40-3)17-14-25/h4-14,16-17,20,23,30,34H,15,18-19,21-22H2,1-3H3,(H,35,39)/t30-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM102982
PNG
(US8546435, 15)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2ccc3ccccc3c2)NC(=O)OC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C37H39N5O3/c1-37(2,3)45-36(43)39-33(22-26-13-16-27-9-5-6-10-28(27)21-26)35-41-40-34(42(35)24-25-14-18-30(44-4)19-15-25)20-17-29-23-38-32-12-8-7-11-31(29)32/h5-16,18-19,21,23,33,38H,17,20,22,24H2,1-4H3,(H,39,43)/t33-/m1/s1
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n/an/a 16.5n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.

US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%