Found 158 hits with Last Name = 'limberis' and Initial = 'jt' 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50185040
(CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197135
(CHEMBL217442 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H23FN2O6/c1-30-21-11-20-16(9-17(21)25)18(28)10-23(33-20)24(29)26-15-4-6-27(7-5-15)12-14-2-3-19-22(8-14)32-13-31-19/h2-3,8-11,15H,4-7,12-13H2,1H3,(H,26,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207679
(CHEMBL246258 | N-(1-(2-chloro-4-((2-(pyrrolidin-1-...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2Cl)C(=O)NCCN2CCCC2)CC1 Show InChI InChI=1S/C29H32ClFN4O4/c30-24-15-19(28(37)32-9-14-34-10-1-2-11-34)3-4-20(24)18-35-12-7-22(8-13-35)33-29(38)27-17-25(36)23-6-5-21(31)16-26(23)39-27/h3-6,15-17,22H,1-2,7-14,18H2,(H,32,37)(H,33,38) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197136
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197143
(CHEMBL277531 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Cc1c(oc2cc(Cl)ccc2c1=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H23ClN2O5/c1-14-22(28)18-4-3-16(25)11-20(18)32-23(14)24(29)26-17-6-8-27(9-7-17)12-15-2-5-19-21(10-15)31-13-30-19/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,26,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197116
(CHEMBL217706 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Brc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21BrN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207681
(CHEMBL248297 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN3CCCCC3)c(F)c2)CC1 Show InChI InChI=1S/C30H35F2N3O4/c31-22-6-7-24-26(36)19-29(39-28(24)18-22)30(37)33-23-9-14-35(15-10-23)20-21-5-8-27(25(32)17-21)38-16-4-13-34-11-2-1-3-12-34/h5-8,17-19,23H,1-4,9-16,20H2,(H,33,37) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197139
(CHEMBL214021 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50185040
(CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197144
(CHEMBL387418 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Fc1cc2c(cc1Cl)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20ClFN2O5/c24-16-9-20-15(8-17(16)25)18(28)10-22(32-20)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197139
(CHEMBL214021 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197111
(CHEMBL213715 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES FC(F)Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H22F2N2O6/c25-24(26)33-16-2-3-17-18(29)11-22(34-20(17)10-16)23(30)27-15-5-7-28(8-6-15)12-14-1-4-19-21(9-14)32-13-31-19/h1-4,9-11,15,24H,5-8,12-13H2,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197124
(CHEMBL217789 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Clc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21ClN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197113
(CHEMBL214731 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207674
(CHEMBL245844 | N-(1-(4-(3-(2,4-dioxothiazolidin-3-...)Show SMILES Oc1csc(=O)n1CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F Show InChI InChI=1S/C28H27F2N3O6S/c29-18-3-4-20-22(34)14-25(39-24(20)13-18)27(36)31-19-6-9-32(10-7-19)15-17-2-5-23(21(30)12-17)38-11-1-8-33-26(35)16-40-28(33)37/h2-5,12-14,16,19,35H,1,6-11,15H2,(H,31,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197124
(CHEMBL217789 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Clc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21ClN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197109
(CHEMBL387417 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccc(cc2o1)C#N Show InChI InChI=1S/C24H21N3O5/c25-12-15-1-3-18-19(28)11-23(32-21(18)9-15)24(29)26-17-5-7-27(8-6-17)13-16-2-4-20-22(10-16)31-14-30-20/h1-4,9-11,17H,5-8,13-14H2,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197120
(CHEMBL217593 | N-[1-[(4-methoxybenzyl)methyl]piper...)Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1 Show InChI InChI=1S/C23H23FN2O4/c1-29-18-5-2-15(3-6-18)14-26-10-8-17(9-11-26)25-23(28)22-13-20(27)19-7-4-16(24)12-21(19)30-22/h2-7,12-13,17H,8-11,14H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197137
(CHEMBL217707 | N-[1-[(2,2-difluoro-1,3-benzodioxol...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OC(F)(F)Oc3c2)CC1 Show InChI InChI=1S/C23H19F3N2O5/c24-14-2-3-16-17(29)11-21(31-19(16)10-14)22(30)27-15-5-7-28(8-6-15)12-13-1-4-18-20(9-13)33-23(25,26)32-18/h1-4,9-11,15H,5-8,12H2,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197136
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197114
(CHEMBL214767 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C23H22N2O5/c26-18-12-22(30-19-4-2-1-3-17(18)19)23(27)24-16-7-9-25(10-8-16)13-15-5-6-20-21(11-15)29-14-28-20/h1-6,11-12,16H,7-10,13-14H2,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197131
(CHEMBL214377 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES CCc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H26N2O5/c1-2-16-3-5-19-20(28)13-24(32-22(19)11-16)25(29)26-18-7-9-27(10-8-18)14-17-4-6-21-23(12-17)31-15-30-21/h3-6,11-13,18H,2,7-10,14-15H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197123
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197108
(CHEMBL217400 | N-[1-[(3-methoxybenzyl)methyl]piper...)Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1 Show InChI InChI=1S/C23H23FN2O4/c1-29-18-4-2-3-15(11-18)14-26-9-7-17(8-10-26)25-23(28)22-13-20(27)19-6-5-16(24)12-21(19)30-22/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197144
(CHEMBL387418 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Fc1cc2c(cc1Cl)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20ClFN2O5/c24-16-9-20-15(8-17(16)25)18(28)10-22(32-20)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50185042
(CHEMBL206081 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)12-23(32-21(18)11-17)24(28)25-16-6-8-26(9-7-16)13-15-2-5-20-22(10-15)31-14-30-20/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,25,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50185042
(CHEMBL206081 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)12-23(32-21(18)11-17)24(28)25-16-6-8-26(9-7-16)13-15-2-5-20-22(10-15)31-14-30-20/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197119
(CHEMBL216225 | N-[1-[(3-fluorobenzyl)methyl]piperi...)Show SMILES Fc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1 Show InChI InChI=1S/C22H20F2N2O3/c23-15-3-1-2-14(10-15)13-26-8-6-17(7-9-26)25-22(28)21-12-19(27)18-5-4-16(24)11-20(18)29-21/h1-5,10-12,17H,6-9,13H2,(H,25,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197115
(CHEMBL425448 | N-[1-[(2,3-dihydro-1,4-benzodioxin-...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C24H23FN2O5/c25-16-2-3-18-19(28)13-23(32-21(18)12-16)24(29)26-17-5-7-27(8-6-17)14-15-1-4-20-22(11-15)31-10-9-30-20/h1-4,11-13,17H,5-10,14H2,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197120
(CHEMBL217593 | N-[1-[(4-methoxybenzyl)methyl]piper...)Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1 Show InChI InChI=1S/C23H23FN2O4/c1-29-18-5-2-15(3-6-18)14-26-10-8-17(9-11-26)25-23(28)22-13-20(27)19-7-4-16(24)12-21(19)30-22/h2-7,12-13,17H,8-11,14H2,1H3,(H,25,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197136
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at MCHr1 assessed as inhibition of MCH-mediated calcium ion release in intact IMR32 cells by FLIPR assay |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197146
(CHEMBL217105 | N-{1-[(6-chloro-1,3-benzodioxol-5-y...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2cc3OCOc3cc2Cl)CC1 Show InChI InChI=1S/C23H20ClFN2O5/c24-17-9-21-20(30-12-31-21)7-13(17)11-27-5-3-15(4-6-27)26-23(29)22-10-18(28)16-2-1-14(25)8-19(16)32-22/h1-2,7-10,15H,3-6,11-12H2,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197129
(CHEMBL387309 | N-[1-[(2-fluoro-4-methoxybenzyl)met...)Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c(F)c1 Show InChI InChI=1S/C23H22F2N2O4/c1-30-17-4-2-14(19(25)11-17)13-27-8-6-16(7-9-27)26-23(29)22-12-20(28)18-5-3-15(24)10-21(18)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207685
(CHEMBL394639 | N-(1-(3-fluoro-4-(2-(isobutoxyimino...)Show SMILES CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F Show InChI InChI=1S/C28H31F2N3O5/c1-18(2)17-37-31-9-12-36-25-6-3-19(13-23(25)30)16-33-10-7-21(8-11-33)32-28(35)27-15-24(34)22-5-4-20(29)14-26(22)38-27/h3-6,9,13-15,18,21H,7-8,10-12,16-17H2,1-2H3,(H,32,35)/b31-9+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197139
(CHEMBL214021 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197135
(CHEMBL217442 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H23FN2O6/c1-30-21-11-20-16(9-17(21)25)18(28)10-23(33-20)24(29)26-15-4-6-27(7-5-15)12-14-2-3-19-22(8-14)32-13-31-19/h2-3,8-11,15H,4-7,12-13H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197135
(CHEMBL217442 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H23FN2O6/c1-30-21-11-20-16(9-17(21)25)18(28)10-23(33-20)24(29)26-15-4-6-27(7-5-15)12-14-2-3-19-22(8-14)32-13-31-19/h2-3,8-11,15H,4-7,12-13H2,1H3,(H,26,29) | Reactome pathway
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at MCHr1 assessed as inhibition of MCH-mediated calcium ion release in intact IMR32 cells by FLIPR assay |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207684
(CHEMBL246050 | N-(1-(4-((2-(piperidin-1-yl)ethyl)c...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCCCC2)CC1 Show InChI InChI=1S/C30H35FN4O4/c31-23-8-9-25-26(36)19-28(39-27(25)18-23)30(38)33-24-10-15-35(16-11-24)20-21-4-6-22(7-5-21)29(37)32-12-17-34-13-2-1-3-14-34/h4-9,18-19,24H,1-3,10-17,20H2,(H,32,37)(H,33,38) | Reactome pathway
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197118
(CHEMBL213761 | N-[1-benzylpiperidin-4-yl]-7-fluoro...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H21FN2O3/c23-16-6-7-18-19(26)13-21(28-20(18)12-16)22(27)24-17-8-10-25(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17H,8-11,14H2,(H,24,27) | PDB
MMDB
Reactome pathway
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UniChem
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| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207677
(CHEMBL248296 | N-(1-(4-(3-(dimethylamino)propoxy)-...)Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F Show InChI InChI=1S/C27H31F2N3O4/c1-31(2)10-3-13-35-24-7-4-18(14-22(24)29)17-32-11-8-20(9-12-32)30-27(34)26-16-23(33)21-6-5-19(28)15-25(21)36-26/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,30,34) | Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197132
(CHEMBL384487 | N-[1-{4-[(4-aminopiperidin-1-yl)met...)Show SMILES CC(=O)c1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1 Show InChI InChI=1S/C24H23FN2O4/c1-15(28)17-4-2-16(3-5-17)14-27-10-8-19(9-11-27)26-24(30)23-13-21(29)20-7-6-18(25)12-22(20)31-23/h2-7,12-13,19H,8-11,14H2,1H3,(H,26,30) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 20.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50197119
(CHEMBL216225 | N-[1-[(3-fluorobenzyl)methyl]piperi...)Show SMILES Fc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1 Show InChI InChI=1S/C22H20F2N2O3/c23-15-3-1-2-14(10-15)13-26-8-6-17(7-9-26)25-22(28)21-12-19(27)18-5-4-16(24)11-20(18)29-21/h1-5,10-12,17H,6-9,13H2,(H,25,28) | PDB
MMDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 21.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197146
(CHEMBL217105 | N-{1-[(6-chloro-1,3-benzodioxol-5-y...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2cc3OCOc3cc2Cl)CC1 Show InChI InChI=1S/C23H20ClFN2O5/c24-17-9-21-20(30-12-31-21)7-13(17)11-27-5-3-15(4-6-27)26-23(29)22-10-18(28)16-2-1-14(25)8-19(16)32-22/h1-2,7-10,15H,3-6,11-12H2,(H,26,29) | Reactome pathway
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207675
(CHEMBL246464 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(NC(=O)CCN3CCCCC3)c(F)c2)CC1 Show InChI InChI=1S/C30H34F2N4O4/c31-21-5-6-23-26(37)18-28(40-27(23)17-21)30(39)33-22-8-13-36(14-9-22)19-20-4-7-25(24(32)16-20)34-29(38)10-15-35-11-2-1-3-12-35/h4-7,16-18,22H,1-3,8-15,19H2,(H,33,39)(H,34,38) | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197125
(CHEMBL386021 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)Show SMILES Clc1cccc2oc(cc(=O)c12)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21ClN2O5/c24-16-2-1-3-19-22(16)17(27)11-21(31-19)23(28)25-15-6-8-26(9-7-15)12-14-4-5-18-20(10-14)30-13-29-18/h1-5,10-11,15H,6-9,12-13H2,(H,25,28) | Reactome pathway
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197123
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29) | Reactome pathway
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197123
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29) | Reactome pathway
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells |
J Med Chem 49: 6569-84 (2006)
Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207673
(CHEMBL246259 | N-(1-(2-methoxy-4-((2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1CN1CCC(CC1)NC(=O)c1cc(=O)c2ccc(F)cc2o1)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C30H35FN4O5/c1-39-26-16-20(29(37)32-10-15-34-11-2-3-12-34)4-5-21(26)19-35-13-8-23(9-14-35)33-30(38)28-18-25(36)24-7-6-22(31)17-27(24)40-28/h4-7,16-18,23H,2-3,8-15,19H2,1H3,(H,32,37)(H,33,38) | Reactome pathway
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207683
(CHEMBL245846 | N-(1-(3-fluoro-4-((2-(pyrrolidin-1-...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(C(=O)NCCN3CCCC3)c(F)c2)CC1 Show InChI InChI=1S/C29H32F2N4O4/c30-20-4-6-23-25(36)17-27(39-26(23)16-20)29(38)33-21-7-12-35(13-8-21)18-19-3-5-22(24(31)15-19)28(37)32-9-14-34-10-1-2-11-34/h3-6,15-17,21H,1-2,7-14,18H2,(H,32,37)(H,33,38) | Reactome pathway
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50197139
(CHEMBL214021 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) | Reactome pathway
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells |
Bioorg Med Chem Lett 17: 2365-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW |
More data for this
Ligand-Target Pair | |
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