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Compile Data Set for Download or QSAR

Found 668 hits with Last Name = 'matesanz' and Initial = 'e'   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146351
PNG
(CHEMBL329566 | Dimethyl-[(2R,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146357
PNG
(CHEMBL329268 | Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+,20+/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146348
PNG
(CHEMBL92667 | Dimethyl-[(3aR,12bS)-1-(3,3a,8,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16?,19-,20-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213387
PNG
(CHEMBL393965 | ethyl 4-(1-(4-(methoxycarbonyl)benz...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
Show InChI InChI=1S/C26H29N3O4/c1-3-33-25(31)28-16-13-26(14-17-28,22-7-5-4-6-8-22)24-27-15-18-29(24)19-20-9-11-21(12-10-20)23(30)32-2/h4-12,15,18H,3,13-14,16-17,19H2,1-2H3
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0.740n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213393
PNG
(CHEMBL232548 | methyl 4-((2-(1-benzoyl-4-phenylpip...)
Show SMILES COC(=O)c1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H29N3O3/c1-36-28(35)25-14-12-23(13-15-25)22-33-21-18-31-29(33)30(26-10-6-3-7-11-26)16-19-32(20-17-30)27(34)24-8-4-2-5-9-24/h2-15,18,21H,16-17,19-20,22H2,1H3
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0.930n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146351
PNG
(CHEMBL329566 | Dimethyl-[(2R,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146340
PNG
(1-Methyl-4-[(3aR,12bS)-1-(2,3,3a,12b-tetrahydro-1-...)
Show SMILES CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Sc2ccccc32)CC1
Show InChI InChI=1S/C22H26N2OS/c1-23-10-12-24(13-11-23)15-16-14-19-17-6-2-4-8-20(17)26-21-9-5-3-7-18(21)22(19)25-16/h2-9,16,19,22H,10-15H2,1H3/t16?,19-,22-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213403
PNG
(CHEMBL391852 | ethyl 4-phenyl-4-(1-(1-phenylethyl)...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-3-30-24(29)27-17-14-25(15-18-27,22-12-8-5-9-13-22)23-26-16-19-28(23)20(2)21-10-6-4-7-11-21/h4-13,16,19-20H,3,14-15,17-18H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213380
PNG
(CHEMBL400436 | isopropyl 4-(1-benzyl-1H-imidazol-2...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-20(2)30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)19-21-9-5-3-6-10-21/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146343
PNG
((4-Fluoro-phenyl)-{1-[(3aR,12bS)-1-(3,3a,8,12b-tet...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C30H30FNO2/c31-24-11-9-20(10-12-24)29(33)21-13-15-32(16-14-21)19-25-18-28-26-7-3-1-5-22(26)17-23-6-2-4-8-27(23)30(28)34-25/h1-12,21,25,28,30H,13-19H2/t25?,28-,30-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213404
PNG
((4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1...)
Show SMILES O=C(N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H27N3O/c32-26(24-12-6-2-7-13-24)30-19-16-28(17-20-30,25-14-8-3-9-15-25)27-29-18-21-31(27)22-23-10-4-1-5-11-23/h1-15,18,21H,16-17,19-20,22H2
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2.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213374
PNG
(CHEMBL437397 | phenyl(4-phenyl-4-(1-(1-phenylethyl...)
Show SMILES CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29N3O/c1-23(24-11-5-2-6-12-24)32-22-19-30-28(32)29(26-15-9-4-10-16-26)17-20-31(21-18-29)27(33)25-13-7-3-8-14-25/h2-16,19,22-23H,17-18,20-21H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146353
PNG
(4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa-di...)
Show SMILES C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C22H25NO2/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)22-21(19)14-18(25-22)15-23-9-11-24-12-10-23/h1-8,18,21-22H,9-15H2/t18?,21-,22-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146351
PNG
(CHEMBL329566 | Dimethyl-[(2R,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213372
PNG
(CHEMBL399205 | propyl 4-(1-benzyl-1H-imidazol-2-yl...)
Show SMILES CCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-2-19-30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)20-21-9-5-3-6-10-21/h3-12,15,18H,2,13-14,16-17,19-20H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146350
PNG
(1-Methyl-4-[(3aR,12bS)-1-(3,3a,8,12b-tetrahydro-2H...)
Show SMILES CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C23H28N2O/c1-24-10-12-25(13-11-24)16-19-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)23(22)26-19/h2-9,19,22-23H,10-16H2,1H3/t19?,22-,23-/m1/s1
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175717
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N,4-diphenylpiperidi...)
Show SMILES O=S(=O)(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N4O2S/c32-34(33,29-25-14-8-3-9-15-25)31-19-16-27(17-20-31,24-12-6-2-7-13-24)26-28-18-21-30(26)22-23-10-4-1-5-11-23/h1-15,18,21,29H,16-17,19-20,22H2
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3.20n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146357
PNG
(CHEMBL329268 | Dimethyl-[(2S,3aR,12bS)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+,20+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50404245
PNG
(CHEMBL2112371)
Show SMILES CNC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15-,18-,19-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50110039
PNG
(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
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3.5n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213406
PNG
(CHEMBL232740 | ethyl 4-(1-benzyl-1H-imidazol-2-yl)...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-2-29-23(28)26-16-13-24(14-17-26,21-11-7-4-8-12-21)22-25-15-18-27(22)19-20-9-5-3-6-10-20/h3-12,15,18H,2,13-14,16-17,19H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213376
PNG
(2-methoxy-1-(4-phenyl-4-(1-(1-phenylethyl)-1H-imid...)
Show SMILES COCC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-20(21-9-5-3-6-10-21)28-18-15-26-24(28)25(22-11-7-4-8-12-22)13-16-27(17-14-25)23(29)19-30-2/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146354
PNG
(2-{4-[(3aR,12bS)-1-(3,3a,8,12b-Tetrahydro-2H-1-oxa...)
Show SMILES OCCN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C24H30N2O2/c27-14-13-25-9-11-26(12-10-25)17-20-16-23-21-7-3-1-5-18(21)15-19-6-2-4-8-22(19)24(23)28-20/h1-8,20,23-24,27H,9-17H2/t20?,23-,24-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146342
PNG
(CHEMBL327651 | Dimethyl-[(2S,3aS,12bR)-1-(3,3a,8,1...)
Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146347
PNG
(CHEMBL327306 | Dimethyl-[(3aR,12bS)-1-(2,3,3a,12b-...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21
Show InChI InChI=1S/C19H21NOS/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213400
PNG
(CHEMBL391623 | ethyl 4-(1-(4-hydroxybenzyl)-1H-imi...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O3/c1-2-30-23(29)26-15-12-24(13-16-26,20-6-4-3-5-7-20)22-25-14-17-27(22)18-19-8-10-21(28)11-9-19/h3-11,14,17,28H,2,12-13,15-16,18H2,1H3
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4.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213397
PNG
(CHEMBL231783 | ethyl 4-(1-(3-fluorobenzyl)-1H-imid...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(F)c1)c1ccccc1
Show InChI InChI=1S/C24H26FN3O2/c1-2-30-23(29)27-14-11-24(12-15-27,20-8-4-3-5-9-20)22-26-13-16-28(22)18-19-7-6-10-21(25)17-19/h3-10,13,16-17H,2,11-12,14-15,18H2,1H3
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5.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213381
PNG
(CHEMBL232137 | methyl 4-((2-(1-(2-methoxyacetyl)-4...)
Show SMILES COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
Show InChI InChI=1S/C26H29N3O4/c1-32-19-23(30)28-15-12-26(13-16-28,22-6-4-3-5-7-22)25-27-14-17-29(25)18-20-8-10-21(11-9-20)24(31)33-2/h3-11,14,17H,12-13,15-16,18-19H2,1-2H3
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5.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146356
PNG
(CHEMBL328356 | Dimethyl-((3aR,12bS)-8-methyl-3,3a,...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1N(C)c1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-21(2)13-14-12-17-15-8-4-6-10-18(15)22(3)19-11-7-5-9-16(19)20(17)23-14/h4-11,14,17,20H,12-13H2,1-3H3/t14?,17-,20-/m1/s1
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6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146348
PNG
(CHEMBL92667 | Dimethyl-[(3aR,12bS)-1-(3,3a,8,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16?,19-,20-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213378
PNG
(CHEMBL233143 | cyclohexyl 4-(1-benzyl-1H-imidazol-...)
Show SMILES O=C(OC1CCCCC1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33N3O2/c32-27(33-25-14-8-3-9-15-25)30-19-16-28(17-20-30,24-12-6-2-7-13-24)26-29-18-21-31(26)22-23-10-4-1-5-11-23/h1-2,4-7,10-13,18,21,25H,3,8-9,14-17,19-20,22H2
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7.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213386
PNG
(1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin...)
Show SMILES COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-29-19-22(28)26-15-12-24(13-16-26,21-10-6-3-7-11-21)23-25-14-17-27(23)18-20-8-4-2-5-9-20/h2-11,14,17H,12-13,15-16,18-19H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175723
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-methyl-N,4-dipheny...)
Show SMILES CN(C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O/c1-31(26-15-9-4-10-16-26)28(34)32-20-17-29(18-21-32,25-13-7-3-8-14-25)27-30-19-22-33(27)23-24-11-5-2-6-12-24/h2-16,19,22H,17-18,20-21,23H2,1H3
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9n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146352
PNG
(CHEMBL329685 | Methyl-[(3aR,12bS)-1-(3,3a,8,12b-te...)
Show SMILES CNCC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15?,18-,19-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213398
PNG
(CHEMBL232937 | butyl 4-(1-benzyl-1H-imidazol-2-yl)...)
Show SMILES CCCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H31N3O2/c1-2-3-20-31-25(30)28-17-14-26(15-18-28,23-12-8-5-9-13-23)24-27-16-19-29(24)21-22-10-6-4-7-11-22/h4-13,16,19H,2-3,14-15,17-18,20-21H2,1H3
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9.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213390
PNG
(CHEMBL392266 | tert-butyl 4-(1-benzyl-1H-imidazol-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)31-24(30)28-17-14-26(15-18-28,22-12-8-5-9-13-22)23-27-16-19-29(23)20-21-10-6-4-7-11-21/h4-13,16,19H,14-15,17-18,20H2,1-3H3
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9.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146339
PNG
(CHEMBL93321 | N,N-dimethyl-(3aR,13bS)-2H,9H-dibenz...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1COc1ccccc21
Show InChI InChI=1S/C20H23NO2/c1-21(2)12-15-11-18-17-9-5-6-10-19(17)22-13-14-7-3-4-8-16(14)20(18)23-15/h3-10,15,18,20H,11-13H2,1-2H3/t15?,18-,20-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146352
PNG
(CHEMBL329685 | Methyl-[(3aR,12bS)-1-(3,3a,8,12b-te...)
Show SMILES CNCC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15?,18-,19-/m1/s1
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9.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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11n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213395
PNG
(CHEMBL231781 | ethyl 4-(1-(4-methoxybenzyl)-1H-imi...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(OC)cc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-3-31-24(29)27-16-13-25(14-17-27,21-7-5-4-6-8-21)23-26-15-18-28(23)19-20-9-11-22(30-2)12-10-20/h4-12,15,18H,3,13-14,16-17,19H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213394
PNG
(CHEMBL233368 | benzyl 4-(1-benzyl-1H-imidazol-2-yl...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c33-28(34-23-25-12-6-2-7-13-25)31-19-16-29(17-20-31,26-14-8-3-9-15-26)27-30-18-21-32(27)22-24-10-4-1-5-11-24/h1-15,18,21H,16-17,19-20,22-23H2
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146356
PNG
(CHEMBL328356 | Dimethyl-((3aR,12bS)-8-methyl-3,3a,...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1N(C)c1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-21(2)13-14-12-17-15-8-4-6-10-18(15)22(3)19-11-7-5-9-16(19)20(17)23-14/h4-11,14,17,20H,12-13H2,1-3H3/t14?,17-,20-/m1/s1
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13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146345
PNG
(CHEMBL96158 | Dimethyl-[(3aR,12bS)-1-(2,3,3a,12b-t...)
Show SMILES CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Oc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50399088
PNG
(CHEMBL2179319)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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15n/an/an/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50404245
PNG
(CHEMBL2112371)
Show SMILES CNC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)19(18)21-15/h2-9,15,18-20H,10-12H2,1H3/t15-,18-,19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146340
PNG
(1-Methyl-4-[(3aR,12bS)-1-(2,3,3a,12b-tetrahydro-1-...)
Show SMILES CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Sc2ccccc32)CC1
Show InChI InChI=1S/C22H26N2OS/c1-23-10-12-24(13-11-23)15-16-14-19-17-6-2-4-8-20(17)26-21-9-5-3-7-18(21)22(19)25-16/h2-9,16,19,22H,10-15H2,1H3/t16?,19-,22-/m1/s1
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17n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146343
PNG
((4-Fluoro-phenyl)-{1-[(3aR,12bS)-1-(3,3a,8,12b-tet...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C30H30FNO2/c31-24-11-9-20(10-12-24)29(33)21-13-15-32(16-14-21)19-25-18-28-26-7-3-1-5-22(26)17-23-6-2-4-8-27(23)30(28)34-25/h1-12,21,25,28,30H,13-19H2/t25?,28-,30-/m1/s1
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17n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
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