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PubMed code 16854051

Compile data set for download or QSAR
Found 30 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))		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))		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))		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
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))		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))		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))		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))		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))		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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM19357
PNG
(2,4-diaminopyrimidine-based antagonist, 13c | N-(4...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show InChI InChI=1S/C23H27N5O2/c1-15(2)12-20(29)26-18-10-8-17(9-11-18)21-19(27-23(25)28-22(21)24)14-30-13-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,26,29)(H4,24,25,27,28)
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n/an/a 72n/a 108n/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))		BDBM19363
PNG
(2,4-diaminopyrimidine-based antagonist, 13j | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)c2ccsc2)cc1
Show InChI InChI=1S/C23H21N5O2S/c24-21-20(16-6-8-18(9-7-16)26-22(29)17-10-11-31-14-17)19(27-23(25)28-21)13-30-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,26,29)(H4,24,25,27,28)
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n/an/a 126n/a>1.00E+4n/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))		BDBM19356
PNG
(2,4-diaminopyrimidine-based antagonist, 13b | N-(4...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show InChI InChI=1S/C21H23N5O2/c1-2-18(27)24-16-10-8-15(9-11-16)19-17(25-21(23)26-20(19)22)13-28-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,24,27)(H4,22,23,25,26)
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n/an/a 221n/a>1.00E+4n/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))		BDBM19375
PNG
(2,4-diaminopyrimidine-based antagonist, 13g | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)C2CCCO2)cc1
Show InChI InChI=1S/C23H25N5O3/c24-21-20(16-8-10-17(11-9-16)26-22(29)19-7-4-12-31-19)18(27-23(25)28-21)14-30-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,19H,4,7,12-14H2,(H,26,29)(H4,24,25,27,28)
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n/an/a 391n/a>1.00E+4n/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))		BDBM19362
PNG
(2,4-diaminopyrimidine-based antagonist, 13i | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2cccnc2)cc1
Show InChI InChI=1S/C25H24N6O2/c26-24-23(21(30-25(27)31-24)16-33-15-17-5-2-1-3-6-17)19-8-10-20(11-9-19)29-22(32)13-18-7-4-12-28-14-18/h1-12,14H,13,15-16H2,(H,29,32)(H4,26,27,30,31)
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n/an/a>1.00E+3n/a>1.00E+4n/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))		BDBM19360
PNG
(2,4-diaminopyrimidine-based antagonist, 13f | N-(4...)
Show SMILES CN(C(=O)C1CCCC1)c1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show InChI InChI=1S/C25H29N5O2/c1-30(24(31)19-9-5-6-10-19)20-13-11-18(12-14-20)22-21(28-25(27)29-23(22)26)16-32-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,19H,5-6,9-10,15-16H2,1H3,(H4,26,27,28,29)
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n/an/a 1.67E+3n/a>1.00E+4n/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
Dihydrofolate reductase


(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 1.83E+3n/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))		BDBM19355
PNG
(2,4-diaminopyrimidine-based antagonist, 13a | N-(4...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show InChI InChI=1S/C20H21N5O2/c1-13(26)23-16-9-7-15(8-10-16)18-17(24-20(22)25-19(18)21)12-27-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,26)(H4,21,22,24,25)
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n/an/a 2.27E+3n/a>1.00E+4n/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
Dihydrofolate reductase


(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 2.30E+3n/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))		BDBM19361
PNG
(2,4-diaminopyrimidine-based antagonist, 13h | N-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C24H22N6O2/c25-22-21(20(29-24(26)30-22)15-32-14-16-4-2-1-3-5-16)17-6-8-19(9-7-17)28-23(31)18-10-12-27-13-11-18/h1-13H,14-15H2,(H,28,31)(H4,25,26,29,30)
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n/an/a 3.08E+3n/a>1.00E+4n/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
Dihydrofolate reductase


(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 2.80E+4n/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))		BDBM19374
PNG
(2,4-diaminopyrimidine-based antagonist, 14g | 3-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C27H28N6O2/c28-25-24(23(32-26(29)33-25)18-35-17-20-9-5-2-6-10-20)21-11-13-22(14-12-21)31-27(34)30-16-15-19-7-3-1-4-8-19/h1-14H,15-18H2,(H2,30,31,34)(H4,28,29,32,33)
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n/an/an/an/a 7n/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))		BDBM19370
PNG
(2,4-diaminopyrimidine-based antagonist, 14c | 3-te...)
Show SMILES CC(C)(C)NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show InChI InChI=1S/C23H28N6O2/c1-23(2,3)29-22(30)26-17-11-9-16(10-12-17)19-18(27-21(25)28-20(19)24)14-31-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,26,29,30)(H4,24,25,27,28)
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n/an/an/an/a 7n/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
Dihydrofolate reductase


(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/an/an/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))		BDBM19369
PNG
(1-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5...)
Show SMILES CC(C)N(C)C(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show InChI InChI=1S/C23H28N6O2/c1-15(2)29(3)23(30)26-18-11-9-17(10-12-18)20-19(27-22(25)28-21(20)24)14-31-13-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,26,30)(H4,24,25,27,28)
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n/an/an/an/a>1.00E+4n/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))		BDBM19372
PNG
(1-benzyl-3-(4-{2,4-diamino-6-[(benzyloxy)methyl]py...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C26H26N6O2/c27-24-23(22(31-25(28)32-24)17-34-16-19-9-5-2-6-10-19)20-11-13-21(14-12-20)30-26(33)29-15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,29,30,33)(H4,27,28,31,32)
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n/an/an/an/a 34n/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))		BDBM19373
PNG
(2,4-diaminopyrimidine-based antagonist, 14f | 3-(4...)
Show SMILES CC(NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N6O2/c1-18(20-10-6-3-7-11-20)30-27(34)31-22-14-12-21(13-15-22)24-23(32-26(29)33-25(24)28)17-35-16-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H2,30,31,34)(H4,28,29,32,33)
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n/an/an/an/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: 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))		BDBM19368
PNG
(1-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show InChI InChI=1S/C22H26N6O2/c1-14(2)25-22(29)26-17-10-8-16(9-11-17)19-18(27-21(24)28-20(19)23)13-30-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,25,26,29)(H4,23,24,27,28)
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n/an/an/an/a 56n/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))		BDBM19371
PNG
(2,4-diaminopyrimidine-based antagonist, 14d | 3-(4...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H24N6O2/c26-23-22(21(30-24(27)31-23)16-33-15-17-7-3-1-4-8-17)18-11-13-20(14-12-18)29-25(32)28-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,28,29,32)(H4,26,27,30,31)
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n/an/an/an/a 88n/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
* indicates data uncertainty>20%