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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'turner' and Initial = 'tm'   
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))
BDBM19386
PNG
(2,4-diaminopyrimidine derivative, 8b | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-10-20(11-9-19)28-14-17-6-12-21(13-7-17)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)
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n/an/a 0.200n/a 5.80n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
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 0.300n/a 7.20n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19403
PNG
(2,4-diaminopyrimidine derivative, 11a | 6-[(benzyl...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-6-17(7-9-19)14-28-20-10-12-21(13-11-20)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)
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n/an/a 0.800n/a 16n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19388
PNG
(2,4-diaminopyrimidine derivative, 8d | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C26H24F3N5O3S/c27-26(28,29)38(35,36)21-12-6-17(7-13-21)14-32-20-10-8-19(9-11-20)23-22(33-25(31)34-24(23)30)16-37-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H4,30,31,33,34)
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n/an/a 1n/a 85n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19389
PNG
(1-(4-{[(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimi...)
Show SMILES CC(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C27H27N5O2/c1-18(33)21-9-7-19(8-10-21)15-30-23-13-11-22(12-14-23)25-24(31-27(29)32-26(25)28)17-34-16-20-5-3-2-4-6-20/h2-14,30H,15-17H2,1H3,(H4,28,29,31,32)
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n/an/a 1.20n/a 10n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321857
PNG
(8-{4-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl...)
Show SMILES OC1CCc2cccc(Nc3nc(c(o3)-c3ccc(cc3)C(F)(F)F)-c3ccc(F)cc3)c2C1
Show InChI InChI=1S/C26H20F4N2O2/c27-19-11-6-16(7-12-19)23-24(17-4-9-18(10-5-17)26(28,29)30)34-25(32-23)31-22-3-1-2-15-8-13-20(33)14-21(15)22/h1-7,9-12,20,33H,8,13-14H2,(H,31,32)
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19390
PNG
(2,4-diaminopyrimidine derivative, 8f | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccnc(Cl)c2)cc1
Show InChI InChI=1S/C24H23ClN6O/c25-21-12-17(10-11-28-21)13-29-19-8-6-18(7-9-19)22-20(30-24(27)31-23(22)26)15-32-14-16-4-2-1-3-5-16/h1-12,29H,13-15H2,(H4,26,27,30,31)
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n/an/a 1.5n/a 3.60n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321856
PNG
(4-{2-[7-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yla...)
Show SMILES OC1CCc2cccc(Nc3nc(c(o3)-c3ccc(cc3)C(F)(F)F)-c3ccc(cc3)C#N)c2C1
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)20-11-8-19(9-12-20)25-24(18-6-4-16(15-31)5-7-18)33-26(35-25)32-23-3-1-2-17-10-13-21(34)14-22(17)23/h1-9,11-12,21,34H,10,13-14H2,(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321853
PNG
(8-{4-Ethyl-5-[4-(trifluoromethyl)phenyl]oxazol-2-y...)
Show SMILES CCc1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N2O2/c1-2-18-20(14-6-9-15(10-7-14)22(23,24)25)29-21(26-18)27-19-5-3-4-13-8-11-16(28)12-17(13)19/h3-7,9-10,16,28H,2,8,11-12H2,1H3,(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19377
PNG
(2,4-diaminopyrimidine derivative, 7c | 5-(4-{[(3,5...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(c(F)c2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H21F2N5O2S/c1-3-16-17(19(23)27-20(24)26-16)12-4-6-13(7-5-12)25-10-11-8-14(21)18(15(22)9-11)30(2,28)29/h4-9,25H,3,10H2,1-2H3,(H4,23,24,26,27)
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n/an/a 2.40n/a 45n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19391
PNG
(2,4-diaminopyrimidine derivative, 8g | 4-{[(4-{2,4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H24N6O/c27-14-18-6-8-19(9-7-18)15-30-22-12-10-21(11-13-22)24-23(31-26(29)32-25(24)28)17-33-16-20-4-2-1-3-5-20/h1-13,30H,15-17H2,(H4,28,29,31,32)
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n/an/a 2.80n/a 19n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19392
PNG
(2,4-diaminopyrimidine derivative, 8h | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H24F3N5O/c27-26(28,29)20-10-6-17(7-11-20)14-32-21-12-8-19(9-13-21)23-22(33-25(31)34-24(23)30)16-35-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H4,30,31,33,34)
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n/an/a 2.90n/a 97n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321850
PNG
(8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazol-2-...)
Show SMILES Cc1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19409
PNG
(2,4-diaminopyrimidine derivative, 13 | 6-ethyl-5-(...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)N(C)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H25N5O2S/c1-4-18-19(20(22)25-21(23)24-18)15-7-9-16(10-8-15)26(2)13-14-5-11-17(12-6-14)29(3,27)28/h5-12H,4,13H2,1-3H3,(H4,22,23,24,25)
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n/an/a 3.70n/a 32n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19352
PNG
(2,4-diaminopyrimidine-based antagonist, 7 | 6-ethy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)cnc2c1
Show InChI InChI=1S/C21H22N6O2S/c1-3-16-19(20(22)26-21(23)25-16)14-6-9-18-17(10-14)24-12-27(18)11-13-4-7-15(8-5-13)30(2,28)29/h4-10,12H,3,11H2,1-2H3,(H4,22,23,25,26)
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n/an/a 4n/a 11n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19407
PNG
(2,4-diaminopyrimidine derivative, 12a | 5-(3-chlor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C20H22ClN5O2S/c1-3-16-18(19(22)26-20(23)25-16)13-6-9-17(15(21)10-13)24-11-12-4-7-14(8-5-12)29(2,27)28/h4-10,24H,3,11H2,1-2H3,(H4,22,23,25,26)
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n/an/a 4.20n/a 11n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321852
PNG
((S)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19408
PNG
(2,4-diaminopyrimidine derivative, 12b | 5-(3-bromo...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)c(Br)c1
Show InChI InChI=1S/C20H22BrN5O2S/c1-3-16-18(19(22)26-20(23)25-16)13-6-9-17(15(21)10-13)24-11-12-4-7-14(8-5-12)29(2,27)28/h4-10,24H,3,11H2,1-2H3,(H4,22,23,25,26)
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n/an/a 5.70n/a 42n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19393
PNG
(2,4-diaminopyrimidine derivative, 8i | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2csc(Cl)c2)cc1
Show InChI InChI=1S/C23H22ClN5OS/c24-20-10-16(14-31-20)11-27-18-8-6-17(7-9-18)21-19(28-23(26)29-22(21)25)13-30-12-15-4-2-1-3-5-15/h1-10,14,27H,11-13H2,(H4,25,26,28,29)
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n/an/a 6.30n/a 170n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19401
PNG
(2,4-diaminopyrimidine derivative, 10a | 6-[(benzyl...)
Show SMILES CS(=O)(=O)c1ccc(COc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C26H26N4O4S/c1-35(31,32)22-13-7-19(8-14-22)16-34-21-11-9-20(10-12-21)24-23(29-26(28)30-25(24)27)17-33-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H4,27,28,29,30)
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n/an/a 6.90n/a 48n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
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 7n/a 19n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
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 7.40n/a 12n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19394
PNG
(2,4-diaminopyrimidine derivative, 8j | 6-[(benzylo...)
Show SMILES COc1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O2/c1-32-22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-33-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)
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n/an/a 7.70n/a 90n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19353
PNG
(2,4-diaminopyrimidine-based antagonist, 8a | 5-{2-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)c(nc2c1)C1CCCC1
Show InChI InChI=1S/C26H30N6O2S/c1-3-20-23(24(27)31-26(28)30-20)18-10-13-22-21(14-18)29-25(17-6-4-5-7-17)32(22)15-16-8-11-19(12-9-16)35(2,33)34/h8-14,17H,3-7,15H2,1-2H3,(H4,27,28,30,31)
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n/an/a 8n/a 109n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321836
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11,15,26H,6,9-10H2,(H,24,25)
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n/an/a 8.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321855
PNG
(8-{4-Bromo-5-[4-(trifluoromethyl)phenyl]oxazol-2-y...)
Show SMILES OC1CCc2cccc(Nc3nc(Br)c(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H16BrF3N2O2/c21-18-17(12-4-7-13(8-5-12)20(22,23)24)28-19(26-18)25-16-3-1-2-11-6-9-14(27)10-15(11)16/h1-5,7-8,14,27H,6,9-10H2,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19404
PNG
(2,4-diaminopyrimidine derivative, 11b | 6-ethyl-5-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N6O2/c1-2-16-17(18(20)24-19(21)23-16)13-5-3-12(4-6-13)11-22-14-7-9-15(10-8-14)25(26)27/h3-10,22H,2,11H2,1H3,(H4,20,21,23,24)
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n/an/a 9.20n/a 190n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19405
PNG
(2,4-diaminopyrimidine derivative, 11c | 6-ethyl-5-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H23N5O2S/c1-3-17-18(19(21)25-20(22)24-17)14-6-4-13(5-7-14)12-23-15-8-10-16(11-9-15)28(2,26)27/h4-11,23H,3,12H2,1-2H3,(H4,21,22,24,25)
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n/an/a 9.80n/a 120n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321839
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}n...)
Show SMILES Oc1ccc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2c1
Show InChI InChI=1S/C20H13F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-11,26H,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(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<10n/an/an/an/a7.337



Abbott Laboratories



Assay Description
DHFR activity was determined by measuring the rate of depletion of NADPH, monitored at 340 nm, with a Beckman DU-7400 spectrophotometer.


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19378
PNG
(2,4-diaminopyrimidine derivative, 7d | 6-ethyl-5-(...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N6O2/c1-2-16-17(18(20)24-19(21)23-16)13-5-7-14(8-6-13)22-11-12-3-9-15(10-4-12)25(26)27/h3-10,22H,2,11H2,1H3,(H4,20,21,23,24)
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n/an/a 11n/a 23n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19380
PNG
(1-[4-({[4-(2,4-diamino-6-ethylpyrimidin-5-yl)pheny...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(C)O)cc1
Show InChI InChI=1S/C21H25N5O/c1-3-18-19(20(22)26-21(23)25-18)16-8-10-17(11-9-16)24-12-14-4-6-15(7-5-14)13(2)27/h4-11,13,24,27H,3,12H2,1-2H3,(H4,22,23,25,26)
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n/an/a 13n/a 110n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321845
PNG
(8-[5-(4-Chlorophenyl)oxazol-2-ylamino]-1,2,3,4-tet...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(Cl)cc3)c2C1
Show InChI InChI=1S/C19H17ClN2O2/c20-14-7-4-13(5-8-14)18-11-21-19(24-18)22-17-3-1-2-12-6-9-15(23)10-16(12)17/h1-5,7-8,11,15,23H,6,9-10H2,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19354
PNG
(2,4-diaminopyrimidine-based antagonist, 8b | 6-eth...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O2S/c1-3-21-24(25(28)32-27(29)31-21)19-11-14-23-22(15-19)30-26(18-7-5-4-6-8-18)33(23)16-17-9-12-20(13-10-17)36(2,34)35/h4-15H,3,16H2,1-2H3,(H4,28,29,31,32)
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n/an/a 16n/a 249n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19359
PNG
(2,4-diaminopyrimidine-based antagonist, 13e | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)C2CCCC2)cc1
Show InChI InChI=1S/C24H27N5O2/c25-22-21(17-10-12-19(13-11-17)27-23(30)18-8-4-5-9-18)20(28-24(26)29-22)15-31-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,18H,4-5,8-9,14-15H2,(H,27,30)(H4,25,26,28,29)
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n/an/a 18n/a 40n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19385
PNG
(2,4-diaminopyrimidine derivative, 8a | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H24ClN5O/c26-20-10-6-17(7-11-20)14-29-21-12-8-19(9-13-21)23-22(30-25(28)31-24(23)27)16-32-15-18-4-2-1-3-5-18/h1-13,29H,14-16H2,(H4,27,28,30,31)
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n/an/a 19n/a 180n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19395
PNG
(2,4-diaminopyrimidine derivative, 8k | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccncc2)cc1
Show InChI InChI=1S/C24H24N6O/c25-23-22(19-6-8-20(9-7-19)28-14-17-10-12-27-13-11-17)21(29-24(26)30-23)16-31-15-18-4-2-1-3-5-18/h1-13,28H,14-16H2,(H4,25,26,29,30)
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n/an/a 21n/a 86n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19382
PNG
(2,4-diaminopyrimidine derivative, 7h | 6-ethyl-5-[...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N5O2S/c1-2-16-17(18(24)28-19(25)27-16)13-5-7-14(8-6-13)26-11-12-3-9-15(10-4-12)31(29,30)20(21,22)23/h3-10,26H,2,11H2,1H3,(H4,24,25,27,28)
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n/an/a 21n/a 690n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321844
PNG
(8-[5-(4-tert-Butylphenyl)oxazol-2-ylamino]-1,2,3,4...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C23H26N2O2/c1-23(2,3)17-10-7-16(8-11-17)21-14-24-22(27-21)25-20-6-4-5-15-9-12-18(26)13-19(15)20/h4-8,10-11,14,18,26H,9,12-13H2,1-3H3,(H,24,25)
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19366
PNG
(2,4-diaminopyrimidine-based antagonist, 13m | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O2/c27-25-24(22(30-26(28)31-25)17-33-16-19-9-5-2-6-10-19)20-11-13-21(14-12-20)29-23(32)15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,29,32)(H4,27,28,30,31)
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n/an/a 37n/a 408n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19365
PNG
(2,4-diaminopyrimidine-based antagonist, 13l | 2-(2...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2ccsc2Br)cc1
Show InChI InChI=1S/C24H22BrN5O2S/c25-22-17(10-11-33-22)12-20(31)28-18-8-6-16(7-9-18)21-19(29-24(27)30-23(21)26)14-32-13-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,28,31)(H4,26,27,29,30)
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n/an/a 41n/a 137n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19396
PNG
(2,4-diaminopyrimidine derivative, 8l | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(Cl)s2)cc1
Show InChI InChI=1S/C23H22ClN5OS/c24-20-11-10-18(31-20)12-27-17-8-6-16(7-9-17)21-19(28-23(26)29-22(21)25)14-30-13-15-4-2-1-3-5-15/h1-11,27H,12-14H2,(H4,25,26,28,29)
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n/an/a 43n/a 320n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19367
PNG
(2,4-diaminopyrimidine-based antagonist, 13n | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C27H27N5O2/c28-26-25(23(31-27(29)32-26)18-34-17-20-9-5-2-6-10-20)21-12-14-22(15-13-21)30-24(33)16-11-19-7-3-1-4-8-19/h1-10,12-15H,11,16-18H2,(H,30,33)(H4,28,29,31,32)
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n/an/a 47n/a 343n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19397
PNG
(2,4-diaminopyrimidine derivative, 8m | 5-[4-(benzy...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C25H25N5O/c26-24-23(20-11-13-21(14-12-20)28-15-18-7-3-1-4-8-18)22(29-25(27)30-24)17-31-16-19-9-5-2-6-10-19/h1-14,28H,15-17H2,(H4,26,27,29,30)
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n/an/a 50n/a 980n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19379
PNG
(1-[4-({[4-(2,4-diamino-6-ethylpyrimidin-5-yl)pheny...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C21H23N5O/c1-3-18-19(20(22)26-21(23)25-18)16-8-10-17(11-9-16)24-12-14-4-6-15(7-5-14)13(2)27/h4-11,24H,3,12H2,1-2H3,(H4,22,23,25,26)
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n/an/a 57n/a 110n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321843
PNG
(8-(5-p-tolyloxazol-2-ylamino)-1,2,3,4-tetrahydrona...)
Show SMILES Cc1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O2/c1-13-5-7-15(8-6-13)19-12-21-20(24-19)22-18-4-2-3-14-9-10-16(23)11-17(14)18/h2-8,12,16,23H,9-11H2,1H3,(H,21,22)
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n/an/a 62n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19358
PNG
(2,4-diaminopyrimidine-based antagonist, 13d | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)C2CC2)cc1
Show InChI InChI=1S/C22H23N5O2/c23-20-19(15-8-10-17(11-9-15)25-21(28)16-6-7-16)18(26-22(24)27-20)13-29-12-14-4-2-1-3-5-14/h1-5,8-11,16H,6-7,12-13H2,(H,25,28)(H4,23,24,26,27)
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n/an/a 66n/a 188n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19398
PNG
(2,4-diaminopyrimidine derivative, 8n | 6-[(benzylo...)
Show SMILES CC(C)(C)CNc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show InChI InChI=1S/C23H29N5O/c1-23(2,3)15-26-18-11-9-17(10-12-18)20-19(27-22(25)28-21(20)24)14-29-13-16-7-5-4-6-8-16/h4-12,26H,13-15H2,1-3H3,(H4,24,25,27,28)
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n/an/a 67n/a 700n/an/an/an/a



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19364
PNG
(2,4-diaminopyrimidine-based antagonist, 13k | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2ccsc2)cc1
Show InChI InChI=1S/C24H23N5O2S/c25-23-22(20(28-24(26)29-23)14-31-13-16-4-2-1-3-5-16)18-6-8-19(9-7-18)27-21(30)12-17-10-11-32-15-17/h1-11,15H,12-14H2,(H,27,30)(H4,25,26,28,29)
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n/an/a 70n/a 382n/an/a7.422



Abbott Laboratories



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...


J Med Chem 49: 4459-69 (2006)


Article DOI: 10.1021/jm060461g
BindingDB Entry DOI: 10.7270/Q2CN726R
More data for this
Ligand-Target Pair
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