Found 611 hits with Last Name = 'vickers' and Initial = 's' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169264
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169264
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50179077
((4R,9aR)-6-bromo-4-methyl-1,2,3,4,9,9a-hexahydro-2...)Show InChI InChI=1S/C11H14BrN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064709
(1-(1-{4-[1-(2-Ethyl-4,6-dimethyl-1-oxy-pyridin-3-y...)Show SMILES CCc1c(CN2CCC(CC2)Oc2cc(OC)c(cc2F)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(C)cc(C)[n+]1[O-] Show InChI InChI=1S/C36H43FN4O6/c1-5-31-29(23(2)18-24(3)41(31)44)21-38-14-12-27(13-15-38)47-34-20-33(45-4)28(19-30(34)37)35(42)39-16-10-26(11-17-39)40-32-9-7-6-8-25(32)22-46-36(40)43/h6-9,18-20,26-27H,5,10-17,21-22H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064738
(1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-2-trifluorome...)Show SMILES COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H34F4N4O6/c1-45-28-18-29(47-24-10-13-38(14-11-24)19-21-6-4-12-40(44)30(21)33(35,36)37)26(34)17-25(28)31(42)39-15-8-23(9-16-39)41-27-7-3-2-5-22(27)20-46-32(41)43/h2-7,12,17-18,23-24H,8-11,13-16,19-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064735
(1-(1-{4-[1-(2,4-Dimethyl-1-oxy-pyridin-3-ylmethyl)...)Show SMILES COc1cc(OC2CCN(Cc3c(C)cc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C34H40N4O6/c1-23-10-19-37(41)24(2)30(23)21-35-15-13-27(14-16-35)44-28-8-9-29(32(20-28)42-3)33(39)36-17-11-26(12-18-36)38-31-7-5-4-6-25(31)22-43-34(38)40/h4-10,19-20,26-27H,11-18,21-22H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064734
(1-(1-{5-Fluoro-2-methoxy-4-[1-(2,4,6-trimethyl-1-o...)Show SMILES COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H41FN4O6/c1-22-17-23(2)40(43)24(3)29(22)20-37-13-11-27(12-14-37)46-33-19-32(44-4)28(18-30(33)36)34(41)38-15-9-26(10-16-38)39-31-8-6-5-7-25(31)21-45-35(39)42/h5-8,17-19,26-27H,9-16,20-21H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064733
(1-(1-{5-Fluoro-2-methoxy-4-[1-(2-methyl-1-oxy-pyri...)Show SMILES COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H37FN4O6/c1-22-23(7-5-13-37(22)41)20-35-14-11-26(12-15-35)44-31-19-30(42-2)27(18-28(31)34)32(39)36-16-9-25(10-17-36)38-29-8-4-3-6-24(29)21-43-33(38)40/h3-8,13,18-19,25-26H,9-12,14-17,20-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064719
(1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-4-trifluorome...)Show SMILES COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H34F4N4O6/c1-45-29-17-30(47-24-8-11-38(12-9-24)18-22-19-40(44)15-10-26(22)33(35,36)37)27(34)16-25(29)31(42)39-13-6-23(7-14-39)41-28-5-3-2-4-21(28)20-46-32(41)43/h2-5,10,15-17,19,23-24H,6-9,11-14,18,20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169263
((4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)Show InChI InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064741
(1-(1-{2-Methoxy-4-[1-(1-oxy-2-trifluoromethyl-pyri...)Show SMILES COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H35F3N4O6/c1-44-29-19-26(46-25-12-15-37(16-13-25)20-22-6-4-14-39(43)30(22)33(34,35)36)8-9-27(29)31(41)38-17-10-24(11-18-38)40-28-7-3-2-5-23(28)21-45-32(40)42/h2-9,14,19,24-25H,10-13,15-18,20-21H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169266
((4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10...)Show InChI InChI=1S/C13H15F3N2/c1-8-6-17-7-11-4-9-2-3-10(13(14,15)16)5-12(9)18(8)11/h2-3,5,8,11,17H,4,6-7H2,1H3/t8-,11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064725
(1-(1-{4-[1-(2-Ethyl-4,6-dimethyl-1-oxy-pyridin-3-y...)Show SMILES CCc1c(CN2CCC(CC2)Oc2ccc(C(=O)N3CCC(CC3)N3C(=O)OCc4ccccc34)c(OC)c2)c(C)cc(C)[n+]1[O-] Show InChI InChI=1S/C36H44N4O6/c1-5-32-31(24(2)20-25(3)40(32)43)22-37-16-14-28(15-17-37)46-29-10-11-30(34(21-29)44-4)35(41)38-18-12-27(13-19-38)39-33-9-7-6-8-26(33)23-45-36(39)42/h6-11,20-21,27-28H,5,12-19,22-23H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169267
((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...)Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50179080
((4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...)Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50176272
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT2C |
Bioorg Med Chem Lett 16: 677-80 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169259
((4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...)Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064736
(1-(1-{5-Fluoro-2-methoxy-4-[1-((S)-1-oxy-5,6,7,8-t...)Show SMILES COc1cc(OC2CCN(CC2)[C@H]2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H39FN4O6/c1-44-32-21-33(46-25-13-18-37(19-14-25)30-9-4-10-31-26(30)7-5-15-39(31)43)28(36)20-27(32)34(41)38-16-11-24(12-17-38)40-29-8-3-2-6-23(29)22-45-35(40)42/h2-3,5-8,15,20-21,24-25,30H,4,9-14,16-19,22H2,1H3/t30-/m0/s1 | PDB
Reactome pathway
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PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169261
((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1 | PDB
Reactome pathway
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169261
((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1 | PDB
Reactome pathway
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064717
(1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-5,6,7,8-tetra...)Show SMILES COc1cc(OC2CCN(CC2)C2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H39FN4O6/c1-44-32-21-33(46-25-13-18-37(19-14-25)30-9-4-10-31-26(30)7-5-15-39(31)43)28(36)20-27(32)34(41)38-16-11-24(12-17-38)40-29-8-3-2-6-23(29)22-45-35(40)42/h2-3,5-8,15,20-21,24-25,30H,4,9-14,16-19,22H2,1H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064737
(1-(1-{4-[1-(2-Ethyl-1-oxy-pyridin-3-ylmethyl)-pipe...)Show SMILES CCc1c(CN2CCC(CC2)Oc2ccc(C(=O)N3CCC(CC3)N3C(=O)OCc4ccccc34)c(OC)c2)ccc[n+]1[O-] Show InChI InChI=1S/C34H40N4O6/c1-3-30-24(8-6-16-37(30)41)22-35-17-14-27(15-18-35)44-28-10-11-29(32(21-28)42-2)33(39)36-19-12-26(13-20-36)38-31-9-5-4-7-25(31)23-43-34(38)40/h4-11,16,21,26-27H,3,12-15,17-20,22-23H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50179087
((4R,9aR)-6-[1-((S)-ethoxy)-ethyl]-4-methyl-1,2,3,4...)Show SMILES CCO[C@@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1 Show InChI InChI=1S/C15H23N3O/c1-4-19-11(3)14-6-5-12-7-13-9-16-8-10(2)18(13)15(12)17-14/h5-6,10-11,13,16H,4,7-9H2,1-3H3/t10-,11+,13-/m1/s1 | PDB
Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50144841
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1 | PDB
Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd
Curated by ChEMBL
| Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line |
Bioorg Med Chem Lett 14: 2367-70 (2004)
Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064739
(1-{1-[5-Fluoro-2-methoxy-4-(1-quinolin-5-yl-piperi...)Show SMILES COc1cc(OC2CCN(CC2)c2cccc3ncccc23)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H35FN4O5/c1-43-32-21-33(45-25-13-18-38(19-14-25)31-10-4-8-29-26(31)7-5-15-37-29)28(36)20-27(32)34(41)39-16-11-24(12-17-39)40-30-9-3-2-6-23(30)22-44-35(40)42/h2-10,15,20-21,24-25H,11-14,16-19,22H2,1H3 | PDB
Reactome pathway
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| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50144841
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1 | PDB
Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT2C |
Bioorg Med Chem Lett 16: 677-80 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064740
(1-(1-{5-Fluoro-2-methoxy-4-[1-((R)-1-oxy-5,6,7,8-t...)Show SMILES COc1cc(OC2CCN(CC2)[C@@H]2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H39FN4O6/c1-44-32-21-33(46-25-13-18-37(19-14-25)30-9-4-10-31-26(30)7-5-15-39(31)43)28(36)20-27(32)34(41)38-16-11-24(12-17-38)40-29-8-3-2-6-23(29)22-45-35(40)42/h2-3,5-8,15,20-21,24-25,30H,4,9-14,16-19,22H2,1H3/t30-/m1/s1 | PDB
Reactome pathway
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PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331198
(1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]ind...)Show SMILES CSc1ccc(cc1)-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1 Show InChI InChI=1S/C24H23N3OS/c1-26-22-9-11-25-15-21(22)20-8-5-18(14-23(20)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3 | Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50176265
((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1 | PDB
Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT2C |
Bioorg Med Chem Lett 16: 677-80 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064713
(1-(1-{5-Fluoro-2-methoxy-4-[1-(5,6,7,8-tetrahydro-...)Show SMILES COc1cc(OC2CCN(CC2)C2CCCc3ncccc23)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H39FN4O5/c1-43-32-21-33(45-25-13-18-38(19-14-25)31-10-4-8-29-26(31)7-5-15-37-29)28(36)20-27(32)34(41)39-16-11-24(12-17-39)40-30-9-3-2-6-23(30)22-44-35(40)42/h2-3,5-7,9,15,20-21,24-25,31H,4,8,10-14,16-19,22H2,1H3 | PDB
Reactome pathway
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PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064730
(1-(1-{2-Methoxy-4-[1-(1-oxy-2-propyl-pyridin-3-ylm...)Show SMILES CCCc1c(CN2CCC(CC2)Oc2ccc(C(=O)N3CCC(CC3)N3C(=O)OCc4ccccc34)c(OC)c2)ccc[n+]1[O-] Show InChI InChI=1S/C35H42N4O6/c1-3-7-31-25(9-6-17-38(31)42)23-36-18-15-28(16-19-36)45-29-11-12-30(33(22-29)43-2)34(40)37-20-13-27(14-21-37)39-32-10-5-4-8-26(32)24-44-35(39)41/h4-6,8-12,17,22,27-28H,3,7,13-16,18-21,23-24H2,1-2H3 | PDB
Reactome pathway
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331161
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2 | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169268
((4R,10aR)-4,6-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)Show InChI InChI=1S/C13H18N2/c1-9-4-3-5-11-6-12-8-14-7-10(2)15(12)13(9)11/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1 | PDB
Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331199
(4-(4-methoxyphenyl)-1-(5-methyl-2,3,4,5-tetrahydro...)Show SMILES COc1ccc(cc1)-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1 Show InChI InChI=1S/C24H23N3O2/c1-26-22-9-11-25-15-21(22)20-8-5-18(14-23(20)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3 | Reactome pathway
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UniChem
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331161
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2 | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169264
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331161
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2 | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50169264
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331201
(4-(4-chlorophenyl)-1-(5-methyl-2,3,4,5-tetrahydro-...)Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H20ClN3O/c1-26-21-8-10-25-14-20(21)19-7-6-18(13-22(19)26)27-11-9-16(12-23(27)28)15-2-4-17(24)5-3-15/h2-7,9,11-13,25H,8,10,14H2,1H3 | Reactome pathway
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50179086
((4R,9aR)-4,6-dimethyl-1,2,3,4,9,9a-hexahydro-2,4a,...)Show InChI InChI=1S/C12H17N3/c1-8-3-4-10-5-11-7-13-6-9(2)15(11)12(10)14-8/h3-4,9,11,13H,5-7H2,1-2H3/t9-,11-/m1/s1 | PDB
Reactome pathway
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331172
(4-(2-chloro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1...)Show SMILES COc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H25ClN4O2/c1-32-21-5-6-22(23(26)16-21)18-8-11-29(25(31)15-18)20-4-7-24-19(14-20)17-27-30(24)13-12-28-9-2-3-10-28/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3 | Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331251
((R)-4-(benzyloxy)-1-(1-(2-(2-(hydroxymethyl)pyrrol...)Show SMILES OC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C26H28N4O3/c31-18-23-7-4-11-28(23)13-14-30-25-9-8-22(15-21(25)17-27-30)29-12-10-24(16-26(29)32)33-19-20-5-2-1-3-6-20/h1-3,5-6,8-10,12,15-17,23,31H,4,7,11,13-14,18-19H2/t23-/m1/s1 | Reactome pathway
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50064738
(1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-2-trifluorome...)Show SMILES COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H34F4N4O6/c1-45-28-18-29(47-24-10-13-38(14-11-24)19-21-6-4-12-40(44)30(21)33(35,36)37)26(34)17-25(28)31(42)39-15-8-23(9-16-39)41-27-7-3-2-5-22(27)20-46-32(41)43/h2-7,12,17-18,23-24H,8-11,13-16,19-20H2,1H3 | PDB
Reactome pathway
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for rat oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50144846
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1 | PDB
Reactome pathway
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd
Curated by ChEMBL
| Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line |
Bioorg Med Chem Lett 14: 2367-70 (2004)
Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50169264
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2B receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50169264
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
Similars
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PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064721
(1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-6,7-dihydro-5...)Show SMILES COc1cc(OC2CCN(CC2)C2CCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C34H37FN4O6/c1-43-31-20-32(45-24-12-17-36(18-13-24)29-8-9-30-25(29)6-4-14-38(30)42)27(35)19-26(31)33(40)37-15-10-23(11-16-37)39-28-7-3-2-5-22(28)21-44-34(39)41/h2-7,14,19-20,23-24,29H,8-13,15-18,21H2,1H3 | PDB
Reactome pathway
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PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50064709
(1-(1-{4-[1-(2-Ethyl-4,6-dimethyl-1-oxy-pyridin-3-y...)Show SMILES CCc1c(CN2CCC(CC2)Oc2cc(OC)c(cc2F)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(C)cc(C)[n+]1[O-] Show InChI InChI=1S/C36H43FN4O6/c1-5-31-29(23(2)18-24(3)41(31)44)21-38-14-12-27(13-15-38)47-34-20-33(45-4)28(19-30(34)37)35(42)39-16-10-26(11-17-39)40-32-9-7-6-8-25(32)22-46-36(40)43/h6-9,18-20,26-27H,5,10-17,21-22H2,1-4H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
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Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for rat oxytocin receptor (OT-R) |
J Med Chem 41: 2146-63 (1998)
Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z |
More data for this
Ligand-Target Pair | |
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