Found 756 hits with Last Name = 'hobbs' and Initial = 'dw' 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169371
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopropylmethyl-...)Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC3CC3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C30H30Cl2N4O/c31-26-15-27(32)17-28(16-26)35-29(37)34-20-30(10-12-36(13-11-30)19-21-4-5-21)25-8-6-23(7-9-25)24-3-1-2-22(14-24)18-33/h1-3,6-9,14-17,21H,4-5,10-13,19-20H2,(H2,34,35,37) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169377
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-propyl-piperidin-4...)Show SMILES CCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C29H30Cl2N4O/c1-2-12-35-13-10-29(11-14-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-8-6-22(7-9-24)23-5-3-4-21(15-23)19-32/h3-9,15-18H,2,10-14,20H2,1H3,(H2,33,34,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169374
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-(2-methoxy-ethyl)-...)Show SMILES COCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C29H30Cl2N4O2/c1-37-14-13-35-11-9-29(10-12-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-7-5-22(6-8-24)23-4-2-3-21(15-23)19-32/h2-8,15-18H,9-14,20H2,1H3,(H2,33,34,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169390
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-isopropyl-piperidi...)Show SMILES CC(C)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C29H30Cl2N4O/c1-20(2)35-12-10-29(11-13-35,19-33-28(36)34-27-16-25(30)15-26(31)17-27)24-8-6-22(7-9-24)23-5-3-4-21(14-23)18-32/h3-9,14-17,20H,10-13,19H2,1-2H3,(H2,33,34,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169389
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H32Cl2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)35-21-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29H,1-2,6-7,12-15,21H2,(H2,35,36,38) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
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
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antibodypedia
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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 | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168805
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(F)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H26F2N4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-24(27)25(28)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168812
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)Show SMILES CN(C)CCC(CNC(=O)Nc1cc(F)cc(F)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H26F2N4O/c1-32(2)11-10-22(17-30-26(33)31-25-14-23(27)13-24(28)15-25)20-8-6-19(7-9-20)21-5-3-4-18(12-21)16-29/h3-9,12-15,22H,10-11,17H2,1-2H3,(H2,30,31,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168825
(1-(3-Chloro-4-fluoro-phenyl)-3-[2-(3'-cyano-biphen...)Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H26ClFN4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-25(28)24(27)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes |
Bioorg Med Chem Lett 17: 1718-21 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168825
(1-(3-Chloro-4-fluoro-phenyl)-3-[2-(3'-cyano-biphen...)Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H26ClFN4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-25(28)24(27)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169393
(1-(4-Chloro-3-trifluoromethyl-phenyl)-3-[4-(3'-cya...)Show SMILES CN1CCC(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C28H26ClF3N4O/c1-36-13-11-27(12-14-36,22-7-5-20(6-8-22)21-4-2-3-19(15-21)17-33)18-34-26(37)35-23-9-10-25(29)24(16-23)28(30,31)32/h2-10,15-16H,11-14,18H2,1H3,(H2,34,35,37) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
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
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)) | 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 | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168791
(1-(3-Chloro-phenyl)-3-[2-(3'-cyano-biphenyl-4-yl)-...)Show SMILES CN(C)CCC(CNC(=O)Nc1cccc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H27ClN4O/c1-31(2)14-13-23(18-29-26(32)30-25-8-4-7-24(27)16-25)21-11-9-20(10-12-21)22-6-3-5-19(15-22)17-28/h3-12,15-16,23H,13-14,18H2,1-2H3,(H2,29,30,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168800
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)Show SMILES CN(C)CCC(CNC(=O)Nc1cccc(F)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H27FN4O/c1-31(2)14-13-23(18-29-26(32)30-25-8-4-7-24(27)16-25)21-11-9-20(10-12-21)22-6-3-5-19(15-22)17-28/h3-12,15-16,23H,13-14,18H2,1-2H3,(H2,29,30,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
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
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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)) | BDBM50169382
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclohexyl-piperid...)Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C32H34Cl2N4O/c33-27-18-28(34)20-29(19-27)37-31(39)36-22-32(13-15-38(16-14-32)30-7-2-1-3-8-30)26-11-9-24(10-12-26)25-6-4-5-23(17-25)21-35/h4-6,9-12,17-20,30H,1-3,7-8,13-16,22H2,(H2,36,37,39) | Reactome pathway
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PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
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
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UniChem
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| 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 | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169396
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...)Show SMILES CN1CCC(CNC(=O)Nc2ccc(F)c(F)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C27H26F2N4O/c1-33-13-11-27(12-14-33,18-31-26(34)32-23-9-10-24(28)25(29)16-23)22-7-5-20(6-8-22)21-4-2-3-19(15-21)17-30/h2-10,15-16H,11-14,18H2,1H3,(H2,31,32,34) | Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169376
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...)Show SMILES CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C27H26Cl2N4O/c1-33-11-9-27(10-12-33,18-31-26(34)32-25-15-23(28)14-24(29)16-25)22-7-5-20(6-8-22)21-4-2-3-19(13-21)17-30/h2-8,13-16H,9-12,18H2,1H3,(H2,31,32,34) | Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169386
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...)Show SMILES CN1CCC(CNC(=O)Nc2cccc(c2)C#N)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C28H27N5O/c1-33-14-12-28(13-15-33,20-31-27(34)32-26-7-3-5-22(17-26)19-30)25-10-8-23(9-11-25)24-6-2-4-21(16-24)18-29/h2-11,16-17H,12-15,20H2,1H3,(H2,31,32,34) | Reactome pathway
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
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
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| 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 | |
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 | |
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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PubMed
| 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 | |
Cathepsin E
(Homo sapiens (Human)) | BDBM50271627
(CHEMBL507651 | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoi...)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin E |
Bioorg Med Chem Lett 18: 3236-41 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.050
BindingDB Entry DOI: 10.7270/Q2PZ58MR |
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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| Article
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 | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169387
(CHEMBL366703 | N-(4'-{4-[3-(3,5-Dichloro-phenyl)-u...)Show SMILES CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C28H30Cl2N4O2/c1-19(35)32-25-5-3-4-21(14-25)20-6-8-22(9-7-20)28(10-12-34(2)13-11-28)18-31-27(36)33-26-16-23(29)15-24(30)17-26/h3-9,14-17H,10-13,18H2,1-2H3,(H,32,35)(H2,31,33,36) | Reactome pathway
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169388
(1-(3,5-Dichloro-phenyl)-3-[1-methanesulfonyl-4-(4-...)Show SMILES CS(=O)(=O)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C25H26Cl2N4O3S/c1-35(33,34)31-11-8-25(9-12-31,17-29-24(32)30-23-14-21(26)13-22(27)15-23)20-6-4-18(5-7-20)19-3-2-10-28-16-19/h2-7,10,13-16H,8-9,11-12,17H2,1H3,(H2,29,30,32) | Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169398
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...)Show SMILES CN1CCC(CNC(=O)Nc2ccccc2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C27H28N4O/c1-31-16-14-27(15-17-31,20-29-26(32)30-25-8-3-2-4-9-25)24-12-10-22(11-13-24)23-7-5-6-21(18-23)19-28/h2-13,18H,14-17,20H2,1H3,(H2,29,30,32) | Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
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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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 | |
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
KEGG
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PC cid
PC sid
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Similars
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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)) | BDBM50168823
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)Show SMILES CN(C)CCC(CNC(=O)Nc1ccccc1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C26H28N4O/c1-30(2)16-15-24(19-28-26(31)29-25-9-4-3-5-10-25)22-13-11-21(12-14-22)23-8-6-7-20(17-23)18-27/h3-14,17,24H,15-16,19H2,1-2H3,(H2,28,29,31) | Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
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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| 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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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 | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168802
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-methylamino-butyl]...)Show SMILES CNCCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C25H24Cl2N4O/c1-29-10-9-21(16-30-25(32)31-24-13-22(26)12-23(27)14-24)19-7-5-18(6-8-19)20-4-2-3-17(11-20)15-28/h2-8,11-14,21,29H,9-10,16H2,1H3,(H2,30,31,32) | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169370
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-ethyl-piperidin-4-...)Show SMILES CCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C28H28Cl2N4O/c1-2-34-12-10-28(11-13-34,19-32-27(35)33-26-16-24(29)15-25(30)17-26)23-8-6-21(7-9-23)22-5-3-4-20(14-22)18-31/h3-9,14-17H,2,10-13,19H2,1H3,(H2,32,33,35) | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169392
(1-[4-(3'-Chloro-biphenyl-4-yl)-1-methyl-piperidin-...)Show SMILES CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C26H26Cl3N3O/c1-32-11-9-26(10-12-32,17-30-25(33)31-24-15-22(28)14-23(29)16-24)20-7-5-18(6-8-20)19-3-2-4-21(27)13-19/h2-8,13-16H,9-12,17H2,1H3,(H2,30,31,33) | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
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
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes |
Bioorg Med Chem Lett 17: 1718-21 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168810
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-cyclopentylamino-b...)Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C29H30Cl2N4O/c30-25-15-26(31)17-28(16-25)35-29(36)34-19-24(12-13-33-27-6-1-2-7-27)22-10-8-21(9-11-22)23-5-3-4-20(14-23)18-32/h3-5,8-11,14-17,24,27,33H,1-2,6-7,12-13,19H2,(H2,34,35,36) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168810
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-cyclopentylamino-b...)Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C29H30Cl2N4O/c30-25-15-26(31)17-28(16-25)35-29(36)34-19-24(12-13-33-27-6-1-2-7-27)22-10-8-21(9-11-22)23-5-3-4-20(14-23)18-32/h3-5,8-11,14-17,24,27,33H,1-2,6-7,12-13,19H2,(H2,34,35,36) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor |
Bioorg Med Chem Lett 15: 3691-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169391
(1-(3,5-Dichloro-phenyl)-3-[1-methyl-4-(4-pyridin-3...)Show SMILES CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C25H26Cl2N4O/c1-31-11-8-25(9-12-31,17-29-24(32)30-23-14-21(26)13-22(27)15-23)20-6-4-18(5-7-20)19-3-2-10-28-16-19/h2-7,10,13-16H,8-9,11-12,17H2,1H3,(H2,29,30,32) | Reactome pathway
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells |
Bioorg Med Chem Lett 15: 3696-700 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16 |
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 | |
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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| 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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| 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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064722
(1-(1-{2-Methoxy-4-[1-(4-methyl-1-oxy-pyridin-3-ylm...)Show SMILES COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H38N4O6/c1-23-9-18-36(40)21-25(23)20-34-14-12-27(13-15-34)43-28-7-8-29(31(19-28)41-2)32(38)35-16-10-26(11-17-35)37-30-6-4-3-5-24(30)22-42-33(37)39/h3-9,18-19,21,26-27H,10-17,20,22H2,1-2H3 | PDB
Reactome pathway
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| 3.5 | 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)) | BDBM50203355
(3-(3-chloro-4-fluorophenyl)-1-((1R,3R,6S)-6-(3-cya...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C29H35ClFN5O/c1-34-12-14-35(15-13-34)10-3-11-36(28(37)33-24-6-7-27(31)26(30)18-24)25-8-9-29(19-23(29)17-25)22-5-2-4-21(16-22)20-32/h2,4-7,16,18,23,25H,3,8-15,17,19H2,1H3,(H,33,37)/t23-,25+,29+/m0/s1 | Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes |
Bioorg Med Chem Lett 17: 1718-21 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | 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
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PubMed
| 4.10 | 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 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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50064711
(1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...)Show SMILES COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H38N4O6/c1-23-24(7-5-15-36(23)40)21-34-16-13-27(14-17-34)43-28-9-10-29(31(20-28)41-2)32(38)35-18-11-26(12-19-35)37-30-8-4-3-6-25(30)22-42-33(37)39/h3-10,15,20,26-27H,11-14,16-19,21-22H2,1-2H3 | PDB
Reactome pathway
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CHEMBL
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PC cid
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UniChem
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| 4.10 | 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 | |
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