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Compile Data Set for Download or QSAR

Found 312 hits with Last Name = 'ertan' and Initial = 'a'   
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50047420
PNG
(CHEMBL3319405)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1
Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33)
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52n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of alpha4 nAChR (unknown origin)


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50047420
PNG
(CHEMBL3319405)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1
Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33)
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290n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin)


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047485
PNG
(CHEMBL3319217)
Show SMILES CCc1ccc(Cl)c(c1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1
Show InChI InChI=1S/C25H30ClN5O4S2/c1-3-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)36-25)37(34,35)14-4-9-31-12-10-30(2)11-13-31/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,27,28,29,32,33)
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n/an/a 0.0780n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047481
PNG
(CHEMBL3319221)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4cccc4)sc3c2)CC1
Show InChI InChI=1S/C27H29ClN6O4S2/c1-32-12-14-33(15-13-32)9-4-16-40(37,38)20-6-8-23-24(18-20)39-27(29-23)31-26(36)30-25(35)21-17-19(5-7-22(21)28)34-10-2-3-11-34/h2-3,5-8,10-11,17-18H,4,9,12-16H2,1H3,(H2,29,30,31,35,36)
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n/an/a 0.150n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047429
PNG
(CHEMBL3319398)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(cc4Cl)C#N)sc3c2)CC1
Show InChI InChI=1S/C28H32ClN7O4S2/c1-34-10-12-35(13-11-34)7-4-14-42(39,40)20-5-6-23-25(16-20)41-28(31-23)33-27(38)32-26(37)21-17-24(36-8-2-3-9-36)19(18-30)15-22(21)29/h5-6,15-17H,2-4,7-14H2,1H3,(H2,31,32,33,37,38)
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n/an/a 0.240n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047480
PNG
(CHEMBL3319222)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCCC4)sc3c2)CC1
Show InChI InChI=1S/C27H33ClN6O4S2/c1-32-12-14-33(15-13-32)9-4-16-40(37,38)20-6-8-23-24(18-20)39-27(29-23)31-26(36)30-25(35)21-17-19(5-7-22(21)28)34-10-2-3-11-34/h5-8,17-18H,2-4,9-16H2,1H3,(H2,29,30,31,35,36)
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n/an/a 0.290n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047431
PNG
(CHEMBL3319397)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(c(Cl)cc4Cl)-n4cccn4)sc3c2)CC1
Show InChI InChI=1S/C26H27Cl2N7O4S2/c1-33-9-11-34(12-10-33)7-3-13-41(38,39)17-4-5-21-23(14-17)40-26(30-21)32-25(37)31-24(36)18-15-22(20(28)16-19(18)27)35-8-2-6-29-35/h2,4-6,8,14-16H,3,7,9-13H2,1H3,(H2,30,31,32,36,37)
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n/an/a 0.310n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047482
PNG
(CHEMBL3319220)
Show SMILES CCOc1ccc(Cl)c(c1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1
Show InChI InChI=1S/C25H30ClN5O5S2/c1-3-36-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)37-25)38(34,35)14-4-9-31-12-10-30(2)11-13-31/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,27,28,29,32,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047483
PNG
(CHEMBL3319219)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)C4CC4)sc3c2)CC1
Show InChI InChI=1S/C26H30ClN5O4S2/c1-31-10-12-32(13-11-31)9-2-14-38(35,36)19-6-8-22-23(16-19)37-26(28-22)30-25(34)29-24(33)20-15-18(17-3-4-17)5-7-21(20)27/h5-8,15-17H,2-4,9-14H2,1H3,(H2,28,29,30,33,34)
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n/an/a 0.330n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047688
PNG
(CHEMBL3319407)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(N4CCCC4)c(cc3Cl)C#N)sc2c1
Show InChI InChI=1S/C26H27ClN6O4S2/c1-32-10-6-17(7-11-32)39(36,37)18-4-5-21-23(13-18)38-26(29-21)31-25(35)30-24(34)19-14-22(33-8-2-3-9-33)16(15-28)12-20(19)27/h4-5,12-14,17H,2-3,6-11H2,1H3,(H2,29,30,31,34,35)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047426
PNG
(CHEMBL3319400)
Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccc3)sc2c1
Show InChI InChI=1S/C26H28ClN5O4S2/c1-3-31(4-2)12-7-15-38(35,36)19-9-11-22-23(17-19)37-26(28-22)30-25(34)29-24(33)20-16-18(8-10-21(20)27)32-13-5-6-14-32/h5-6,8-11,13-14,16-17H,3-4,7,12,15H2,1-2H3,(H2,28,29,30,33,34)
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n/an/a 0.430n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047474
PNG
(CHEMBL3319228)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccc(cc4Cl)-n4ccc(C)n4)sc3c2)CC1
Show InChI InChI=1S/C27H30ClN7O4S2/c1-18-8-10-35(32-18)19-4-6-21(22(28)16-19)25(36)30-26(37)31-27-29-23-7-5-20(17-24(23)40-27)41(38,39)15-3-9-34-13-11-33(2)12-14-34/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H2,29,30,31,36,37)
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n/an/a 0.480n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047475
PNG
(CHEMBL3319227)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4ccc(C)n4)sc3c2)CC1
Show InChI InChI=1S/C27H30ClN7O4S2/c1-18-8-10-35(32-18)19-4-6-22(28)21(16-19)25(36)30-26(37)31-27-29-23-7-5-20(17-24(23)40-27)41(38,39)15-3-9-34-13-11-33(2)12-14-34/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H2,29,30,31,36,37)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047428
PNG
(CHEMBL3319399)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5n(C)ccc5cc4Cl)sc3c2)CC1
Show InChI InChI=1S/C26H29ClN6O4S2/c1-31-9-11-33(12-10-31)7-3-13-39(36,37)18-4-5-21-23(15-18)38-26(28-21)30-25(35)29-24(34)19-16-22-17(14-20(19)27)6-8-32(22)2/h4-6,8,14-16H,3,7,9-13H2,1-2H3,(H2,28,29,30,34,35)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047432
PNG
(CHEMBL3319396)
Show SMILES COc1cc(Cl)c(cc1-n1cccn1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1
Show InChI InChI=1S/C27H30ClN7O5S2/c1-33-10-12-34(13-11-33)8-4-14-42(38,39)18-5-6-21-24(15-18)41-27(30-21)32-26(37)31-25(36)19-16-22(35-9-3-7-29-35)23(40-2)17-20(19)28/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H2,30,31,32,36,37)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047478
PNG
(CHEMBL3319225)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4cccn4)sc3c2)CC1
Show InChI InChI=1S/C26H28ClN7O4S2/c1-32-11-13-33(14-12-32)9-3-15-40(37,38)19-5-7-22-23(17-19)39-26(29-22)31-25(36)30-24(35)20-16-18(4-6-21(20)27)34-10-2-8-28-34/h2,4-8,10,16-17H,3,9,11-15H2,1H3,(H2,29,30,31,35,36)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047479
PNG
(CHEMBL3319224)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-c4ccccn4)sc3c2)CC1
Show InChI InChI=1S/C28H29ClN6O4S2/c1-34-12-14-35(15-13-34)11-4-16-41(38,39)20-7-9-24-25(18-20)40-28(31-24)33-27(37)32-26(36)21-17-19(6-8-22(21)29)23-5-2-3-10-30-23/h2-3,5-10,17-18H,4,11-16H2,1H3,(H2,31,32,33,36,37)
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n/an/a 0.690n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047418
PNG
(CHEMBL3319223)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCOCC4)sc3c2)CC1
Show InChI InChI=1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36)
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n/an/a 0.770n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047687
PNG
(CHEMBL3319406)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCCC3)sc2c1
Show InChI InChI=1S/C25H28ClN5O4S2/c1-30-12-8-17(9-13-30)37(34,35)18-5-7-21-22(15-18)36-25(27-21)29-24(33)28-23(32)19-14-16(4-6-20(19)26)31-10-2-3-11-31/h4-7,14-15,17H,2-3,8-13H2,1H3,(H2,27,28,29,32,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047434
PNG
(CHEMBL3319229)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4nc(C)cc4C)sc3c2)CC1
Show InChI InChI=1S/C28H32ClN7O4S2/c1-18-15-19(2)36(33-18)20-5-7-23(29)22(16-20)26(37)31-27(38)32-28-30-24-8-6-21(17-25(24)41-28)42(39,40)14-4-9-35-12-10-34(3)11-13-35/h5-8,15-17H,4,9-14H2,1-3H3,(H2,30,31,32,37,38)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047416
PNG
(CHEMBL3319215)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1
Show InChI InChI=1S/C23H26ClN5O4S2/c1-28-10-12-29(13-11-28)9-4-14-35(32,33)16-7-8-19-20(15-16)34-23(25-19)27-22(31)26-21(30)17-5-2-3-6-18(17)24/h2-3,5-8,15H,4,9-14H2,1H3,(H2,25,26,27,30,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433276
PNG
(CHEMBL2376316)
Show SMILES CCC1(CC)CNc2ccc(cc2C(=O)N1)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C19H21F2N3O3S/c1-3-19(4-2)11-22-16-8-6-13(10-14(16)18(25)23-19)28(26,27)24-17-7-5-12(20)9-15(17)21/h5-10,22,24H,3-4,11H2,1-2H3,(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047423
PNG
(CHEMBL3319402)
Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1
Show InChI InChI=1S/C26H32ClN5O5S2/c1-3-31(4-2)10-5-15-39(35,36)19-7-9-22-23(17-19)38-26(28-22)30-25(34)29-24(33)20-16-18(6-8-21(20)27)32-11-13-37-14-12-32/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,28,29,30,33,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433285
PNG
(CHEMBL2376310)
Show SMILES CCC1(CC)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C19H19F2N3O4S/c1-3-19(4-2)18(26)22-15-8-6-12(10-13(15)17(25)23-19)29(27,28)24-16-7-5-11(20)9-14(16)21/h5-10,24H,3-4H2,1-2H3,(H,22,26)(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Hdac5 protein


(Rattus norvegicus)
BDBM50047418
PNG
(CHEMBL3319223)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCOCC4)sc3c2)CC1
Show InChI InChI=1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50047416
PNG
(CHEMBL3319215)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1
Show InChI InChI=1S/C23H26ClN5O4S2/c1-28-10-12-29(13-11-28)9-4-14-35(32,33)16-7-8-19-20(15-16)34-23(25-19)27-22(31)26-21(30)17-5-2-3-6-18(17)24/h2-3,5-8,15H,4,9-14H2,1H3,(H2,25,26,27,30,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047424
PNG
(CHEMBL3319401)
Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccn3)sc2c1
Show InChI InChI=1S/C25H27ClN6O4S2/c1-3-31(4-2)12-6-14-38(35,36)18-8-10-21-22(16-18)37-25(28-21)30-24(34)29-23(33)19-15-17(7-9-20(19)26)32-13-5-11-27-32/h5,7-11,13,15-16H,3-4,6,12,14H2,1-2H3,(H2,28,29,30,33,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Mus musculus)
BDBM50433272
PNG
(CHEMBL2376325)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-15-9-8-13(10-14(15)16(23)21-18)27(25,26)22-12-6-4-11(19)5-7-12/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433270
PNG
(CHEMBL2376329)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H21N3O5S/c1-4-19(2)18(24)20-16-10-9-14(11-15(16)17(23)21-19)28(25,26)22-12-5-7-13(27-3)8-6-12/h5-11,22H,4H2,1-3H3,(H,20,24)(H,21,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047490
PNG
(CHEMBL3319216)
Show SMILES CN1CCCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1
Show InChI InChI=1S/C24H28ClN5O4S2/c1-29-10-4-11-30(14-13-29)12-5-15-36(33,34)17-8-9-20-21(16-17)35-24(26-20)28-23(32)27-22(31)18-6-2-3-7-19(18)25/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,26,27,28,31,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Mus musculus)
BDBM50433269
PNG
(CHEMBL2376303)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F |r|
Show InChI InChI=1S/C18H17F2N3O4S/c1-3-18(2)17(25)21-14-7-5-11(9-12(14)16(24)22-18)28(26,27)23-15-6-4-10(19)8-13(15)20/h4-9,23H,3H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047484
PNG
(CHEMBL3319218)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)C#C)sc3c2)CC1
Show InChI InChI=1S/C25H26ClN5O4S2/c1-3-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)36-25)37(34,35)14-4-9-31-12-10-30(2)11-13-31/h1,5-8,15-16H,4,9-14H2,2H3,(H2,27,28,29,32,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Mus musculus)
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433269
PNG
(CHEMBL2376303)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F |r|
Show InChI InChI=1S/C18H17F2N3O4S/c1-3-18(2)17(25)21-14-7-5-11(9-12(14)16(24)22-18)28(26,27)23-15-6-4-10(19)8-13(15)20/h4-9,23H,3H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047420
PNG
(CHEMBL3319405)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1
Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047689
PNG
(CHEMBL3319408)
Show SMILES CN1CCc2cc(Cl)c(cc12)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C1CCN(C)CC1
Show InChI InChI=1S/C24H26ClN5O4S2/c1-29-8-6-15(7-9-29)36(33,34)16-3-4-19-21(12-16)35-24(26-19)28-23(32)27-22(31)17-13-20-14(11-18(17)25)5-10-30(20)2/h3-4,11-13,15H,5-10H2,1-2H3,(H2,26,27,28,31,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047655
PNG
(CHEMBL3319214)
Show SMILES COCCNCCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1
Show InChI InChI=1S/C21H23ClN4O5S2/c1-31-11-10-23-9-4-12-33(29,30)14-7-8-17-18(13-14)32-21(24-17)26-20(28)25-19(27)15-5-2-3-6-16(15)22/h2-3,5-8,13,23H,4,9-12H2,1H3,(H2,24,25,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047676
PNG
(CHEMBL3319211)
Show SMILES CN(C)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1
Show InChI InChI=1S/C20H21ClN4O4S2/c1-25(2)10-5-11-31(28,29)13-8-9-16-17(12-13)30-20(22-16)24-19(27)23-18(26)14-6-3-4-7-15(14)21/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,22,23,24,26,27)
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n/an/a 8.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047477
PNG
(CHEMBL3319226)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cccc(c4Cl)-n4cccn4)sc3c2)CC1
Show InChI InChI=1S/C26H28ClN7O4S2/c1-32-12-14-33(15-13-32)10-4-16-40(37,38)18-7-8-20-22(17-18)39-26(29-20)31-25(36)30-24(35)19-5-2-6-21(23(19)27)34-11-3-9-28-34/h2-3,5-9,11,17H,4,10,12-16H2,1H3,(H2,29,30,31,35,36)
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n/an/a 8.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433269
PNG
(CHEMBL2376303)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F |r|
Show InChI InChI=1S/C18H17F2N3O4S/c1-3-18(2)17(25)21-14-7-5-11(9-12(14)16(24)22-18)28(26,27)23-15-6-4-10(19)8-13(15)20/h4-9,23H,3H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433269
PNG
(CHEMBL2376303)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F |r|
Show InChI InChI=1S/C18H17F2N3O4S/c1-3-18(2)17(25)21-14-7-5-11(9-12(14)16(24)22-18)28(26,27)23-15-6-4-10(19)8-13(15)20/h4-9,23H,3H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MGAT2 in human intestinal microsomes using 2-oleyl-sn-glycerol and [14C]-oleyl-coenzyme A as substrate after 10 to 15 mins by liquid sc...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047675
PNG
(CHEMBL3319212)
Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1
Show InChI InChI=1S/C22H25ClN4O4S2/c1-3-27(4-2)12-7-13-33(30,31)15-10-11-18-19(14-15)32-22(24-18)26-21(29)25-20(28)16-8-5-6-9-17(16)23/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3,(H2,24,25,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047422
PNG
(CHEMBL3319403)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccn3)sc2c1
Show InChI InChI=1S/C24H23ClN6O4S2/c1-30-11-7-16(8-12-30)37(34,35)17-4-6-20-21(14-17)36-24(27-20)29-23(33)28-22(32)18-13-15(3-5-19(18)25)31-10-2-9-26-31/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,27,28,29,32,33)
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433275
PNG
(CHEMBL2376320)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F3N3O4S/c1-3-18(2)17(27)23-15-9-8-13(10-14(15)16(26)24-18)30(28,29)25-12-6-4-11(5-7-12)19(20,21)22/h4-10,25H,3H2,1-2H3,(H,23,27)(H,24,26)/t18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047677
PNG
(CHEMBL3319282)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccc3)sc2c1
Show InChI InChI=1S/C20H15ClN4O4S2/c1-31(28,29)13-5-7-16-17(11-13)30-20(22-16)24-19(27)23-18(26)14-10-12(4-6-15(14)21)25-8-2-3-9-25/h2-11H,1H3,(H2,22,23,24,26,27)
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433272
PNG
(CHEMBL2376325)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-15-9-8-13(10-14(15)16(23)21-18)27(25,26)22-12-6-4-11(19)5-7-12/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50047679
PNG
(CHEMBL3319280)
Show SMILES CC(C)NCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1
Show InChI InChI=1S/C20H21ClN4O4S2/c1-12(2)22-9-10-31(28,29)13-7-8-16-17(11-13)30-20(23-16)25-19(27)24-18(26)14-5-3-4-6-15(14)21/h3-8,11-12,22H,9-10H2,1-2H3,(H2,23,24,25,26,27)
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433270
PNG
(CHEMBL2376329)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H21N3O5S/c1-4-19(2)18(24)20-16-10-9-14(11-15(16)17(23)21-19)28(25,26)22-12-5-7-13(27-3)8-6-12/h5-11,22H,4H2,1-3H3,(H,20,24)(H,21,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT1 expressed in insect cell membrane using 2-oleyl-sn-glycerol and [14C]-oleyl-coenzyme A as substrate after 10 to...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
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