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PubMed code 16610800

Compile data set for download or QSAR
Found 36 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))		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
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
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
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))		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
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 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))		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
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
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
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))		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
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))		BDBM19402
PNG
(2,4-diaminopyrimidine derivative, 10b)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(OCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H23N5O2/c27-14-18-6-8-20(9-7-18)16-33-22-12-10-21(11-13-22)24-23(30-26(29)31-25(24)28)17-32-15-19-4-2-1-3-5-19/h1-13H,15-17H2,(H4,28,29,30,31)
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n/an/a 83n/a 3.61E+3n/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))		BDBM19383
PNG
(2,4-diaminopyrimidine derivative, 7i | 5-(4-{[(2-c...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccnc(Cl)c2)cc1
Show InChI InChI=1S/C18H19ClN6/c1-2-14-16(17(20)25-18(21)24-14)12-3-5-13(6-4-12)23-10-11-7-8-22-15(19)9-11/h3-9,23H,2,10H2,1H3,(H4,20,21,24,25)
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n/an/a 110n/a 220n/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))		BDBM19399
PNG
(2,4-diaminopyrimidine derivative, 8o | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2cnc3ccccc3c2)cc1
Show InChI InChI=1S/C28H26N6O/c29-27-26(25(33-28(30)34-27)18-35-17-19-6-2-1-3-7-19)21-10-12-23(13-11-21)31-15-20-14-22-8-4-5-9-24(22)32-16-20/h1-14,16,31H,15,17-18H2,(H4,29,30,33,34)
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n/an/a 130n/a 780n/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))		BDBM19381
PNG
(2,4-diaminopyrimidine derivative, 7g | 4-({[4-(2,4...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C20H20N6/c1-2-17-18(19(22)26-20(23)25-17)15-7-9-16(10-8-15)24-12-14-5-3-13(11-21)4-6-14/h3-10,24H,2,12H2,1H3,(H4,22,23,25,26)
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n/an/a 160n/a 780n/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))		BDBM19384
PNG
(2,4-diaminopyrimidine derivative, 7j | 5-(4-{[(5-c...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1
Show InChI InChI=1S/C17H18ClN5S/c1-2-13-15(16(19)23-17(20)22-13)11-3-5-12(6-4-11)21-8-10-7-14(18)24-9-10/h3-7,9,21H,2,8H2,1H3,(H4,19,20,22,23)
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n/an/a 290n/a 790n/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))		BDBM19406
PNG
(2,4-diaminopyrimidine derivative, 11d | 5-(4-{[(4-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H20ClN5/c1-2-16-17(18(21)25-19(22)24-16)13-5-3-12(4-6-13)11-23-15-9-7-14(20)8-10-15/h3-10,23H,2,11H2,1H3,(H4,21,22,24,25)
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n/an/a 300n/a 3.15E+3n/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
Dihydrofolate reductase


(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)
PDB
MMDB

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n/an/a 300n/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: 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))		BDBM19376
PNG
(2,4-diaminopyrimidine derivative, 7a | 5-(4-{[(4-c...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H20ClN5/c1-2-16-17(18(21)25-19(22)24-16)13-5-9-15(10-6-13)23-11-12-3-7-14(20)8-4-12/h3-10,23H,2,11H2,1H3,(H4,21,22,24,25)
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n/an/a 310n/a 1.38E+3n/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))		BDBM19400
PNG
(2,4-diaminopyrimidine derivative, 9 | 5-(4-{[(4-ch...)
Show SMILES Nc1nc(N)c(c(CCc2ccccc2)n1)-c1ccc(NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H24ClN5/c26-20-11-6-18(7-12-20)16-29-21-13-9-19(10-14-21)23-22(30-25(28)31-24(23)27)15-8-17-4-2-1-3-5-17/h1-7,9-14,29H,8,15-16H2,(H4,27,28,30,31)
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n/an/a 3.17E+3n/a 3.35E+3n/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
* indicates data uncertainty>20%