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Compile Data Set for Download or QSAR

Found 776 hits with Last Name = 'hashimoto' 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273464
PNG
((1S,9S,10S)-11-(2-phenylethyl)-8-oxa-11-azatetracy...)
Show SMILES Oc1cccc2c1O[C@@H]1[C@@H]3CCC[C@]21CCN3CCc1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-19-10-4-8-17-20(19)25-21-18-9-5-12-22(17,21)13-15-23(18)14-11-16-6-2-1-3-7-16/h1-4,6-8,10,18,21,24H,5,9,11-15H2/t18-,21+,22-/m0/s1
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7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273935
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1
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26n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273933
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1ccc2O[C@@H]3CC[C@H]4C[C@@]3(CCN4CCc3ccccc3)c2c1
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17?,21-,22+/m1/s1
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78n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273935
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1
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190n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273414
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...)
Show SMILES Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3
Show InChI InChI=1S/C22H25NO2/c24-19-10-4-9-18-21(19)25-20-15-23(13-11-16-6-2-1-3-7-16)17-8-5-12-22(18,20)14-17/h1-4,6-7,9-10,17,20,24H,5,8,11-15H2/t17?,20-,22-/m0/s1
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200n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273414
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...)
Show SMILES Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3
Show InChI InChI=1S/C22H25NO2/c24-19-10-4-9-18-21(19)25-20-15-23(13-11-16-6-2-1-3-7-16)17-8-5-12-22(18,20)14-17/h1-4,6-7,9-10,17,20,24H,5,8,11-15H2/t17?,20-,22-/m0/s1
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560n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273416
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...)
Show SMILES Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1
Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22-/m0/s1
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560n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273415
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-methyl-...)
Show SMILES CN1C[C@@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2
Show InChI InChI=1S/C15H19NO2/c1-16-9-14-15(6-2-3-10(16)8-15)12-7-11(17)4-5-13(12)18-14/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3/t10?,14-,15-/m0/s1
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620n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273933
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1ccc2O[C@@H]3CC[C@H]4C[C@@]3(CCN4CCc3ccccc3)c2c1
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17?,21-,22+/m1/s1
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740n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273934
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-methyl-1...)
Show SMILES CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c3cccc1O
Show InChI InChI=1S/C15H19NO2/c1-16-8-7-15-9-10(16)5-6-13(15)18-14-11(15)3-2-4-12(14)17/h2-4,10,13,17H,5-9H2,1H3/t10?,13-,15+/m1/s1
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910n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273416
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...)
Show SMILES Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1
Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22-/m0/s1
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1.22E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273416
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...)
Show SMILES Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1
Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22-/m0/s1
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2.53E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273415
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-methyl-...)
Show SMILES CN1C[C@@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2
Show InChI InChI=1S/C15H19NO2/c1-16-9-14-15(6-2-3-10(16)8-15)12-7-11(17)4-5-13(12)18-14/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3/t10?,14-,15-/m0/s1
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2.78E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273414
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...)
Show SMILES Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3
Show InChI InChI=1S/C22H25NO2/c24-19-10-4-9-18-21(19)25-20-15-23(13-11-16-6-2-1-3-7-16)17-8-5-12-22(18,20)14-17/h1-4,6-7,9-10,17,20,24H,5,8,11-15H2/t17?,20-,22-/m0/s1
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2.84E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273415
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-methyl-...)
Show SMILES CN1C[C@@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2
Show InChI InChI=1S/C15H19NO2/c1-16-9-14-15(6-2-3-10(16)8-15)12-7-11(17)4-5-13(12)18-14/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3/t10?,14-,15-/m0/s1
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>2.93E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273934
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-methyl-1...)
Show SMILES CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c3cccc1O
Show InChI InChI=1S/C15H19NO2/c1-16-8-7-15-9-10(16)5-6-13(15)18-14-11(15)3-2-4-12(14)17/h2-4,10,13,17H,5-9H2,1H3/t10?,13-,15+/m1/s1
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3.21E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273413
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-methyl-...)
Show SMILES CN1C[C@@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2
Show InChI InChI=1S/C15H19NO2/c1-16-9-13-15(7-3-4-10(16)8-15)11-5-2-6-12(17)14(11)18-13/h2,5-6,10,13,17H,3-4,7-9H2,1H3/t10?,13-,15-/m0/s1
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3.43E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273935
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1
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3.71E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273933
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1ccc2O[C@@H]3CC[C@H]4C[C@@]3(CCN4CCc3ccccc3)c2c1
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17?,21-,22+/m1/s1
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4.76E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273413
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-methyl-...)
Show SMILES CN1C[C@@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2
Show InChI InChI=1S/C15H19NO2/c1-16-9-13-15(7-3-4-10(16)8-15)11-5-2-6-12(17)14(11)18-13/h2,5-6,10,13,17H,3-4,7-9H2,1H3/t10?,13-,15-/m0/s1
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4.82E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273413
PNG
((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-methyl-...)
Show SMILES CN1C[C@@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2
Show InChI InChI=1S/C15H19NO2/c1-16-9-13-15(7-3-4-10(16)8-15)11-5-2-6-12(17)14(11)18-13/h2,5-6,10,13,17H,3-4,7-9H2,1H3/t10?,13-,15-/m0/s1
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>8.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273932
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-methyl-1...)
Show SMILES CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1ccc(O)cc31
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10?,14-,15+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273934
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-methyl-1...)
Show SMILES CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c3cccc1O
Show InChI InChI=1S/C15H19NO2/c1-16-8-7-15-9-10(16)5-6-13(15)18-14-11(15)3-2-4-12(14)17/h2-4,10,13,17H,5-9H2,1H3/t10?,13-,15+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273932
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-methyl-1...)
Show SMILES CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1ccc(O)cc31
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10?,14-,15+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273932
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-methyl-1...)
Show SMILES CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1ccc(O)cc31
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10?,14-,15+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 51: 7866-81 (2008)


Article DOI: 10.1021/jm800913d
BindingDB Entry DOI: 10.7270/Q2639PM8
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
BDBM50173539
PNG
(1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O5/c31-23-18-26(30-17-16-25(32)29-27(30)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)
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1.80E+4n/an/an/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149712
PNG
(US8975409, Example 9)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)
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n/an/a 2.30n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
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n/an/a 3.30n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143197
PNG
(CHEMBL3759037)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(C(O)=O)c(Cl)c2)c1
Show InChI InChI=1S/C29H30ClFN2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-20-13-23(38-21-5-3-19(31)4-6-21)15-24(14-20)39-22-7-8-25(27(34)35)26(30)16-22/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 3.60n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 3.70n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter


Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143192
PNG
(CHEMBL3758929)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C29H31FN2O6/c1-19(2)18-29(36)11-13-32(14-12-29)28(35)31-22-15-25(37-23-7-3-20(4-8-23)27(33)34)17-26(16-22)38-24-9-5-21(30)6-10-24/h3-10,15-17,19,36H,11-14,18H2,1-2H3,(H,31,35)(H,33,34)
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n/an/a 4n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM50120582
PNG
(CHEMBL3618199)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H28F2N2O6S/c1-42(38,39)29-12-10-26(11-13-29)41-28-19-24(18-27(20-28)40-25-8-6-23(33)7-9-25)34-30(36)35-16-14-31(37,15-17-35)21-2-4-22(32)5-3-21/h2-13,18-20,37H,14-17H2,1H3,(H,34,36)
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n/an/a 4.60n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
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n/an/a 4.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149709
PNG
(US8975409, Example 19)
Show SMILES CC(C)CC1(O)CN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C30H33FN2O6/c1-19(2)16-30(37)17-33(18-30)28(36)32-22-13-25(15-26(14-22)39-24-11-7-21(31)8-12-24)38-23-9-5-20(6-10-23)29(3,4)27(34)35/h5-15,19,37H,16-18H2,1-4H3,(H,32,36)(H,34,35)
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n/an/a 5.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM50120583
PNG
(CHEMBL3618200)
Show SMILES NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C30H27F2N3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39)
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n/an/a 5.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
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n/an/a 6.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
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Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143201
PNG
(CHEMBL3759864)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C2(CC2)C(O)=O)c1
Show InChI InChI=1S/C32H35FN2O6/c1-21(2)20-31(39)13-15-35(16-14-31)30(38)34-24-17-27(19-28(18-24)41-26-9-5-23(33)6-10-26)40-25-7-3-22(4-8-25)32(11-12-32)29(36)37/h3-10,17-19,21,39H,11-16,20H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 6.40n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143203
PNG
(CHEMBL3759434)
Show SMILES CC(C)CC1(O)CCN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C31H35FN2O6/c1-20(2)18-31(38)13-14-34(19-31)29(37)33-23-15-26(17-27(16-23)40-25-11-7-22(32)8-12-25)39-24-9-5-21(6-10-24)30(3,4)28(35)36/h5-12,15-17,20,38H,13-14,18-19H2,1-4H3,(H,33,37)(H,35,36)
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n/an/a 8.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131845
PNG
(CHEMBL3633535)
Show SMILES COc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C25H23NO3S/c1-29-20-14-12-19(13-15-20)25(30-16-23(26)24(27)28)21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)25/h2-15,23H,16,26H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143202
PNG
(CHEMBL3758872)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccc(c2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)12-14-35(15-13-32)30(38)34-24-17-27(40-25-10-8-23(33)9-11-25)19-28(18-24)41-26-7-5-6-22(16-26)31(3,4)29(36)37/h5-11,16-19,21,39H,12-15,20H2,1-4H3,(H,34,38)(H,36,37)
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n/an/a 8.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143206
PNG
(CHEMBL3759532)
Show SMILES CC(C)(C(O)=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C3)C3CCCC3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C32H35FN2O6/c1-31(2,29(36)37)21-7-11-25(12-8-21)40-27-17-24(18-28(19-27)41-26-13-9-23(33)10-14-26)34-30(38)35-16-15-32(39,20-35)22-5-3-4-6-22/h7-14,17-19,22,39H,3-6,15-16,20H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 8.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143200
PNG
(CHEMBL3758775)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)C(O)=O)c1
Show InChI InChI=1S/C31H35FN2O6/c1-20(2)19-31(38)12-14-34(15-13-31)30(37)33-24-16-27(18-28(17-24)40-26-10-6-23(32)7-11-26)39-25-8-4-22(5-9-25)21(3)29(35)36/h4-11,16-18,20-21,38H,12-15,19H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 9.30n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131854
PNG
(CHEMBL3633526)
Show SMILES Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H25NO2S/c1-17-10-14-20(15-11-17)25(29-16-23(26)24(27)28)21-8-4-2-6-18(21)12-13-19-7-3-5-9-22(19)25/h2-11,14-15,23H,12-13,16,26H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131853
PNG
(CHEMBL3633527)
Show SMILES N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2CCc2ccccc12)C(O)=O
Show InChI InChI=1S/C24H22ClNO2S/c25-19-13-11-18(12-14-19)24(29-15-22(26)23(27)28)20-7-3-1-5-16(20)9-10-17-6-2-4-8-21(17)24/h1-8,11-14,22H,9-10,15,26H2,(H,27,28)/t22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143198
PNG
(CHEMBL3758974)
Show SMILES COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(O)=O
Show InChI InChI=1S/C30H33FN2O7/c1-19(2)18-30(37)10-12-33(13-11-30)29(36)32-21-14-24(39-22-6-4-20(31)5-7-22)16-25(15-21)40-23-8-9-26(28(34)35)27(17-23)38-3/h4-9,14-17,19,37H,10-13,18H2,1-3H3,(H,32,36)(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131859
PNG
(CHEMBL3633537)
Show SMILES N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2C=Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C24H20ClNO2S/c25-19-13-11-18(12-14-19)24(29-15-22(26)23(27)28)20-7-3-1-5-16(20)9-10-17-6-2-4-8-21(17)24/h1-14,22H,15,26H2,(H,27,28)/t22-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143191
PNG
(CHEMBL3758214)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C31H35FN2O6/c1-3-21(4-2)20-31(38)13-15-34(16-14-31)30(37)33-24-17-27(39-25-9-5-22(6-10-25)29(35)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H,33,37)(H,35,36)
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n/an/a 12n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM50120579
PNG
(CHEMBL3618196)
Show SMILES NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H27ClFN3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38)
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n/an/a 13n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131855
PNG
(CHEMBL3633366)
Show SMILES COc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H25NO3S/c1-29-20-14-12-19(13-15-20)25(30-16-23(26)24(27)28)21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)25/h2-9,12-15,23H,10-11,16,26H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
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