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Compile Data Set for Download or QSAR

Found 977 hits with Last Name = 'ando' and Initial = 't'   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50474150
PNG
(CHEMBL58362)
Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


J Med Chem 56: 4840-8 (2013)


Article DOI: 10.1021/jm400143z
BindingDB Entry DOI: 10.7270/Q2FT8PZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50150028
PNG
((5R,6R)-1-Benzoyl-5-benzyl-6-hydroxy-2,4-bis-(4-hy...)
Show SMILES O[C@@H]1CN(N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C32H31N3O5/c36-27-15-11-24(12-16-27)20-33-29(19-23-7-3-1-4-8-23)30(38)22-34(31(39)26-9-5-2-6-10-26)35(32(33)40)21-25-13-17-28(37)18-14-25/h1-18,29-30,36-38H,19-22H2/t29-,30-/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease


Bioorg Med Chem Lett 14: 4075-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.036
BindingDB Entry DOI: 10.7270/Q25B01ZK
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM192
PNG
((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxyp...)
Show SMILES O[C@@H]1CN(Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C32H33N3O4/c36-28-15-11-26(12-16-28)21-34-30(19-24-7-3-1-4-8-24)31(38)23-33(20-25-9-5-2-6-10-25)35(32(34)39)22-27-13-17-29(37)18-14-27/h1-18,30-31,36-38H,19-23H2/t30-,31-/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease


Bioorg Med Chem Lett 14: 4075-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.036
BindingDB Entry DOI: 10.7270/Q25B01ZK
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50409919
PNG
(CHEMBL12282)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69ClFN3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-33(49)32(48)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50409920
PNG
(CHEMBL273440)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C46H69Cl2N3O13/c1-14-34-46(11)38(50(42(55)64-46)18-17-30-15-16-31(47)32(48)20-30)27(7)35(52)24(4)21-45(10,58-13)39(63-41-36(53)33(19-26(6)60-41)49(12)23(2)3)28(8)37(29(9)40(54)61-34)62-44(57)51-25(5)22-59-43(51)56/h15-16,20,23-29,33-34,36-39,41,53H,14,17-19,21-22H2,1-13H3/t24-,25+,26-,27+,28+,29-,33+,34-,36-,37+,38-,39-,41?,45+,46-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50409919
PNG
(CHEMBL12282)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69ClFN3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-33(49)32(48)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to human luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50409919
PNG
(CHEMBL12282)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69ClFN3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-33(49)32(48)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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0.331n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells


Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.490n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50409921
PNG
(CHEMBL429956)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69Cl2N3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-32(48)33(49)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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0.680n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50409918
PNG
(CHEMBL275935)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C2CCCC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C48H71Cl2N3O13/c1-12-36-48(9)40(52(44(57)66-48)20-19-31-17-18-33(49)34(50)22-31)28(5)37(54)25(2)23-47(8,60-11)41(65-43-38(55)35(21-27(4)62-43)51(10)32-15-13-14-16-32)29(6)39(30(7)42(56)63-36)64-46(59)53-26(3)24-61-45(53)58/h17-18,22,25-30,32,35-36,38-41,43,55H,12-16,19-21,23-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,35+,36-,38-,39+,40-,41-,43?,47+,48-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224090
PNG
(CHEMBL410940)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(CC3CC3)CC3CC3)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C53H82ClFN2O13/c1-13-40-53(10)45(57(50(62)70-53)21-20-34-18-19-38(55)37(54)23-34)30(4)42(58)28(2)24-52(9,64-12)47(69-49-43(59)39(22-29(3)65-49)56(26-35-14-15-35)27-36-16-17-36)31(5)44(32(6)48(61)67-40)68-41-25-51(8,63-11)46(60)33(7)66-41/h18-19,23,28-33,35-36,39-41,43-47,49,59-60H,13-17,20-22,24-27H2,1-12H3/t28-,29-,30+,31+,32-,33+,39+,40-,41?,43-,44+,45-,46+,47-,49?,51-,52+,53-/m1/s1
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0.851n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells


Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001560
PNG
(CHEMBL273275)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C48H72ClN3O13/c1-12-36-48(9)40(51(44(56)65-48)22-21-32-17-19-33(49)20-18-32)29(5)37(53)26(2)24-47(8,59-11)41(64-43-38(54)35(23-28(4)61-43)50(10)34-15-13-14-16-34)30(6)39(31(7)42(55)62-36)63-46(58)52-27(3)25-60-45(52)57/h17-20,26-31,34-36,38-41,43,54H,12-16,21-25H2,1-11H3/t26-,27+,28-,29+,30+,31-,35+,36-,38-,39+,40-,41-,43?,47+,48-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224093
PNG
(CHEMBL408925)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(CC3CC3)CC3CC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C50H73Cl2N3O13/c1-11-38-50(9)42(54(46(59)68-50)19-18-32-16-17-35(51)36(52)21-32)29(5)39(56)26(2)22-49(8,62-10)43(30(6)41(31(7)44(58)65-38)66-48(61)55-27(3)25-63-47(55)60)67-45-40(57)37(20-28(4)64-45)53(23-33-12-13-33)24-34-14-15-34/h16-17,21,26-31,33-34,37-38,40-43,45,57H,11-15,18-20,22-25H2,1-10H3/t26-,27+,28-,29+,30+,31-,37+,38-,40-,41+,42-,43-,45?,49+,50-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells


Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50150033
PNG
((5R,6R)-1-Benzenesulfonyl-5-benzyl-6-hydroxy-2,4-b...)
Show SMILES O[C@@H]1CN(N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H31N3O6S/c35-26-15-11-24(12-16-26)20-32-29(19-23-7-3-1-4-8-23)30(37)22-34(41(39,40)28-9-5-2-6-10-28)33(31(32)38)21-25-13-17-27(36)18-14-25/h1-18,29-30,35-37H,19-22H2/t29-,30-/m1/s1
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1.37n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease


Bioorg Med Chem Lett 14: 4075-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.036
BindingDB Entry DOI: 10.7270/Q25B01ZK
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224095
PNG
(CHEMBL264043)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCC3)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C51H80Cl2N2O13/c1-14-38-51(10)43(55(48(60)68-51)22-21-33-19-20-35(52)36(53)24-33)29(4)40(56)27(2)25-50(9,62-13)45(67-47-41(57)37(23-28(3)63-47)54(11)34-17-15-16-18-34)30(5)42(31(6)46(59)65-38)66-39-26-49(8,61-12)44(58)32(7)64-39/h19-20,24,27-32,34,37-39,41-45,47,57-58H,14-18,21-23,25-26H2,1-13H3/t27-,28-,29+,30+,31-,32+,37+,38-,39?,41-,42+,43-,44+,45-,47?,49-,50+,51-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells


Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403759
PNG
(CHEMBL428494)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccn1)c23
Show InChI InChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29)
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1.90n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50409921
PNG
(CHEMBL429956)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69Cl2N3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-32(48)33(49)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to human luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50423641
PNG
(A-198401 | CHEMBL303274)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69Cl2N3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-32(48)33(49)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42+,46+,47-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells


Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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2.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001571
PNG
(CHEMBL273466)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3CCOC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C45H68ClN3O13/c1-13-33-45(10)37(48(43(55)62-45)19-18-30-14-16-31(46)17-15-30)27(6)34(50)25(4)23-44(9,56-12)38(61-40-35(51)32(22-26(5)58-40)47(11)24(2)3)28(7)36(29(8)39(52)59-33)60-42(54)49-20-21-57-41(49)53/h14-17,24-29,32-33,35-38,40,51H,13,18-23H2,1-12H3/t25-,26-,27+,28+,29-,32+,33-,35-,36+,37-,38-,40?,44+,45-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473640
PNG
(CHEMBL71847)
Show SMILES COc1cccc(c1)N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C26H33N3O2/c1-31-22-10-5-9-21(19-22)29-17-15-28(16-18-29)14-3-2-12-26-13-6-8-20-7-4-11-23(24(20)26)27-25(26)30/h4-5,7,9-11,19H,2-3,6,8,12-18H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001566
PNG
(CHEMBL275467)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C46H70ClN3O13/c1-14-34-46(11)38(49(42(54)63-46)20-19-31-15-17-32(47)18-16-31)28(7)35(51)25(4)22-45(10,57-13)39(62-41-36(52)33(21-27(6)59-41)48(12)24(2)3)29(8)37(30(9)40(53)60-34)61-44(56)50-26(5)23-58-43(50)55/h15-18,24-30,33-34,36-39,41,52H,14,19-23H2,1-13H3/t25-,26+,27-,28+,29+,30-,33+,34-,36-,37+,38-,39-,41?,45+,46-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001563
PNG
(CHEMBL273535)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)[C@@H](C)OC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C47H72ClN3O13/c1-15-35-47(12)39(50(43(55)64-47)21-20-32-16-18-33(48)19-17-32)27(6)36(52)25(4)23-46(11,58-14)40(63-42-37(53)34(22-26(5)59-42)49(13)24(2)3)28(7)38(29(8)41(54)61-35)62-45(57)51-30(9)31(10)60-44(51)56/h16-19,24-31,34-35,37-40,42,53H,15,20-23H2,1-14H3/t25-,26-,27+,28+,29-,30+,31-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50474150
PNG
(CHEMBL58362)
Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
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3n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


J Med Chem 56: 4840-8 (2013)


Article DOI: 10.1021/jm400143z
BindingDB Entry DOI: 10.7270/Q2FT8PZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403770
PNG
(CHEMBL12427)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1)c23
Show InChI InChI=1S/C25H31N3O/c29-24-25(14-7-9-20-8-6-12-22(26-24)23(20)25)13-4-5-15-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-3,6,8,10-12H,4-5,7,9,13-19H2,(H,26,29)
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3.30n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opoid receptor in Dunkin-Hartley guinea pig brain after 1.5 hrs by liquid scintillation spectrometry


J Med Chem 56: 4840-8 (2013)


Article DOI: 10.1021/jm400143z
BindingDB Entry DOI: 10.7270/Q2FT8PZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50130276
PNG
(CHEMBL553794 | N-Methyl-2-{2-[4-(2-oxo-1,2,4,5-tet...)
Show SMILES CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Show InChI InChI=1S/C29H34N4O2/c1-30-26(34)19-33-24-12-3-2-10-21(24)22-13-17-32(18-25(22)33)16-5-4-14-29-15-7-9-20-8-6-11-23(27(20)29)31-28(29)35/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,30,34)(H,31,35)
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3.5n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50220558
PNG
(CHEMBL418888)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8|
Show InChI InChI=1S/C26H29FN2O/c27-22-10-8-19(9-11-22)20-12-17-29(18-13-20)16-2-1-14-26-15-4-6-21-5-3-7-23(24(21)26)28-25(26)30/h3,5,7-12H,1-2,4,6,13-18H2,(H,28,30)
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3.5n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403768
PNG
(CHEMBL273246)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1C#N)c23
Show InChI InChI=1S/C26H30N4O/c27-19-21-7-1-2-11-23(21)30-17-15-29(16-18-30)14-4-3-12-26-13-6-9-20-8-5-10-22(24(20)26)28-25(26)31/h1-2,5,7-8,10-11H,3-4,6,9,12-18H2,(H,28,31)
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3.80n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50001560
PNG
(CHEMBL273275)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C48H72ClN3O13/c1-12-36-48(9)40(51(44(56)65-48)22-21-32-17-19-33(49)20-18-32)29(5)37(53)26(2)24-47(8,59-11)41(64-43-38(54)35(23-28(4)61-43)50(10)34-15-13-14-16-34)30(6)39(31(7)42(55)62-36)63-46(58)52-27(3)25-60-45(52)57/h17-20,26-31,34-36,38-41,43,54H,12-16,21-25H2,1-11H3/t26-,27+,28-,29+,30+,31-,35+,36-,38-,39+,40-,41-,43?,47+,48-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells


Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403780
PNG
(CHEMBL12846)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H32N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12,21H,4-5,7,11,13-19H2,(H,27,29)
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4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001573
PNG
(CHEMBL273387)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C49H79ClN2O13/c1-16-36-49(12)41(52(46(57)65-49)22-21-33-17-19-34(50)20-18-33)29(6)38(53)27(4)24-48(11,59-15)43(64-45-39(54)35(23-28(5)60-45)51(13)26(2)3)30(7)40(31(8)44(56)62-36)63-37-25-47(10,58-14)42(55)32(9)61-37/h17-20,26-32,35-37,39-43,45,54-55H,16,21-25H2,1-15H3/t27-,28-,29+,30+,31-,32+,35+,36-,37?,39-,40+,41-,42+,43-,45?,47-,48+,49-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473633
PNG
(CHEMBL304731)
Show SMILES Cc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8|
Show InChI InChI=1S/C27H32N2O/c1-20-9-11-21(12-10-20)22-13-18-29(19-14-22)17-3-2-15-27-16-5-7-23-6-4-8-24(25(23)27)28-26(27)30/h4,6,8-13H,2-3,5,7,14-19H2,1H3,(H,28,30)
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4.80n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403777
PNG
(CHEMBL12702)
Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)
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5.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001564
PNG
(CHEMBL429949)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3[C@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C46H70ClN3O13/c1-14-34-46(11)38(49(42(54)63-46)20-19-31-15-17-32(47)18-16-31)28(7)35(51)25(4)22-45(10,57-13)39(62-41-36(52)33(21-27(6)59-41)48(12)24(2)3)29(8)37(30(9)40(53)60-34)61-44(56)50-26(5)23-58-43(50)55/h15-18,24-30,33-34,36-39,41,52H,14,19-23H2,1-13H3/t25-,26-,27-,28+,29+,30-,33+,34-,36-,37+,38-,39-,41?,45+,46-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50409918
PNG
(CHEMBL275935)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C2CCCC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C48H71Cl2N3O13/c1-12-36-48(9)40(52(44(57)66-48)20-19-31-17-18-33(49)34(50)22-31)28(5)37(54)25(2)23-47(8,60-11)41(65-43-38(55)35(21-27(4)62-43)51(10)32-15-13-14-16-32)29(6)39(30(7)42(56)63-36)64-46(59)53-26(3)24-61-45(53)58/h17-18,22,25-30,32,35-36,38-41,43,55H,12-16,19-21,23-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,35+,36-,38-,39+,40-,41-,43?,47+,48-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to human luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473658
PNG
(CHEMBL71383)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCc4c(C1)[nH]c1ccccc41)c23
Show InChI InChI=1S/C26H29N3O/c30-25-26(14-6-8-18-7-5-11-22(28-25)24(18)26)13-3-4-15-29-16-12-20-19-9-1-2-10-21(19)27-23(20)17-29/h1-2,5,7,9-11,27H,3-4,6,8,12-17H2,(H,28,30)
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5.80n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473644
PNG
(CHEMBL302766)
Show SMILES C=CCn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Show InChI InChI=1S/C29H33N3O/c1-2-17-32-25-13-4-3-11-22(25)23-14-19-31(20-26(23)32)18-6-5-15-29-16-8-10-21-9-7-12-24(27(21)29)30-28(29)33/h2-4,7,9,11-13H,1,5-6,8,10,14-20H2,(H,30,33)
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6n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001548
PNG
(CHEMBL412634)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3[C@@H](CC)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C47H72ClN3O13/c1-14-33-24-59-44(56)51(33)45(57)62-38-29(8)40(63-42-37(53)34(22-27(6)60-42)49(12)25(3)4)46(10,58-13)23-26(5)36(52)28(7)39-47(11,35(15-2)61-41(54)30(38)9)64-43(55)50(39)21-20-31-16-18-32(48)19-17-31/h16-19,25-30,33-35,37-40,42,53H,14-15,20-24H2,1-13H3/t26-,27-,28+,29+,30-,33+,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473648
PNG
(CHEMBL71225)
Show SMILES CC(=O)n1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Show InChI InChI=1S/C28H31N3O2/c1-19(32)31-24-12-3-2-10-21(24)22-13-17-30(18-25(22)31)16-5-4-14-28-15-7-9-20-8-6-11-23(26(20)28)29-27(28)33/h2-3,6,8,10-12H,4-5,7,9,13-18H2,1H3,(H,29,33)
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6.5n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50492099
PNG
(CHEMBL2396991)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]13OCCO[C@@]21Nc1ccc(F)c(OC)c31)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C25H33FN2O6/c1-5-15-13-28-9-8-24-21-19(7-6-18(26)22(21)31-3)27-25(24,34-11-10-33-24)20(28)12-16(15)17(14-30-2)23(29)32-4/h6-7,14-16,20,27H,5,8-13H2,1-4H3/b17-14+/t15-,16+,20+,24+,25+/m1/s1
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7n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor (unknown origin)


J Med Chem 56: 4840-8 (2013)


Article DOI: 10.1021/jm400143z
BindingDB Entry DOI: 10.7270/Q2FT8PZS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50492099
PNG
(CHEMBL2396991)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]13OCCO[C@@]21Nc1ccc(F)c(OC)c31)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C25H33FN2O6/c1-5-15-13-28-9-8-24-21-19(7-6-18(26)22(21)31-3)27-25(24,34-11-10-33-24)20(28)12-16(15)17(14-30-2)23(29)32-4/h6-7,14-16,20,27H,5,8-13H2,1-4H3/b17-14+/t15-,16+,20+,24+,25+/m1/s1
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7n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


J Med Chem 56: 4840-8 (2013)


Article DOI: 10.1021/jm400143z
BindingDB Entry DOI: 10.7270/Q2FT8PZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473651
PNG
(CHEMBL71959)
Show SMILES CN(C)C(=O)n1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Show InChI InChI=1S/C29H34N4O2/c1-31(2)28(35)33-24-13-4-3-11-21(24)22-14-18-32(19-25(22)33)17-6-5-15-29-16-8-10-20-9-7-12-23(26(20)29)30-27(29)34/h3-4,7,9,11-13H,5-6,8,10,14-19H2,1-2H3,(H,30,34)
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7.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224097
PNG
(CHEMBL418067)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCCC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C49H73Cl2N3O13/c1-12-37-49(9)41(53(45(58)67-49)21-20-32-18-19-34(50)35(51)23-32)29(5)38(55)26(2)24-48(8,61-11)42(66-44-39(56)36(22-28(4)63-44)52(10)33-16-14-13-15-17-33)30(6)40(31(7)43(57)64-37)65-47(60)54-27(3)25-62-46(54)59/h18-19,23,26-31,33,36-37,39-42,44,56H,12-17,20-22,24-25H2,1-11H3/t26-,27+,28-,29+,30+,31-,36+,37-,39-,40+,41-,42-,44?,48+,49-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells


Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50474152
PNG
(CHEBI:6956 | CHEMBL299031)
Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opoid receptor in Dunkin-Hartley guinea pig brain after 1.5 hrs by liquid scintillation spectrometry


J Med Chem 56: 4840-8 (2013)


Article DOI: 10.1021/jm400143z
BindingDB Entry DOI: 10.7270/Q2FT8PZS
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224091
PNG
(CHEMBL442482)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCC3)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C51H81ClN2O13/c1-14-38-51(10)43(54(48(59)67-51)24-23-34-19-21-35(52)22-20-34)30(4)40(55)28(2)26-50(9,61-13)45(66-47-41(56)37(25-29(3)62-47)53(11)36-17-15-16-18-36)31(5)42(32(6)46(58)64-38)65-39-27-49(8,60-12)44(57)33(7)63-39/h19-22,28-33,36-39,41-45,47,56-57H,14-18,23-27H2,1-13H3/t28-,29-,30+,31+,32-,33+,37+,38-,39?,41-,42+,43-,44+,45-,47?,49-,50+,51-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells


Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001555
PNG
(CHEMBL267568)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3CC(C)OC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C46H70ClN3O13/c1-14-34-46(11)38(49(44(56)63-46)20-19-31-15-17-32(47)18-16-31)28(7)35(51)25(4)22-45(10,57-13)39(62-41-36(52)33(21-26(5)58-41)48(12)24(2)3)29(8)37(30(9)40(53)60-34)61-43(55)50-23-27(6)59-42(50)54/h15-18,24-30,33-34,36-39,41,52H,14,19-23H2,1-13H3/t25-,26-,27?,28+,29+,30-,33+,34-,36-,37+,38-,39-,41?,45+,46-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473639
PNG
(CHEMBL303166)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C27H33N3O2/c1-20(31)22-10-2-3-12-24(22)30-18-16-29(17-19-30)15-5-4-13-27-14-7-9-21-8-6-11-23(25(21)27)28-26(27)32/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,28,32)
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7.90n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473652
PNG
(CHEMBL422587)
Show SMILES Oc1ccc2NC(=O)C3(CCCCN4CCC(=CC4)c4ccccc4)CCCc1c23 |c:16|
Show InChI InChI=1S/C26H30N2O2/c29-23-11-10-22-24-21(23)9-6-15-26(24,25(30)27-22)14-4-5-16-28-17-12-20(13-18-28)19-7-2-1-3-8-19/h1-3,7-8,10-12,29H,4-6,9,13-18H2,(H,27,30)
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8.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473657
PNG
(CHEMBL70889)
Show SMILES NC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Show InChI InChI=1S/C28H32N4O2/c29-25(33)18-32-23-11-2-1-9-20(23)21-12-16-31(17-24(21)32)15-4-3-13-28-14-6-8-19-7-5-10-22(26(19)28)30-27(28)34/h1-2,5,7,9-11H,3-4,6,8,12-18H2,(H2,29,33)(H,30,34)
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8.70n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
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