Found 1770 hits with Last Name = 'arellano' and Initial = 'm' 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 |
|---|
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316938
(1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-b...)Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221119
(CHEMBL236521 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C34H47Cl2N5O3/c1-23(2)19-29(37-32(42)12-14-38(4)5)27-20-24(3)8-11-30(27)39-15-17-40(18-16-39)34(44)31(41-13-6-7-33(41)43)21-25-9-10-26(35)22-28(25)36/h8-11,20,22-23,29,31H,6-7,12-19,21H2,1-5H3,(H,37,42)/t29-,31+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50224184
(1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...)Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1C |r| Show InChI InChI=1S/C31H45ClN4O2/c1-21(2)30(33-29(37)12-13-34(6)7)27-18-22(3)8-11-28(27)35-14-16-36(17-15-35)31(38)24(5)19-25-9-10-26(32)20-23(25)4/h8-11,18,20-21,24,30H,12-17,19H2,1-7H3,(H,33,37)/t24-,30+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 50: 5249-52 (2007)
Article DOI: 10.1021/jm070806a
BindingDB Entry DOI: 10.7270/Q29C6X6B |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221119
(CHEMBL236521 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C34H47Cl2N5O3/c1-23(2)19-29(37-32(42)12-14-38(4)5)27-20-24(3)8-11-30(27)39-15-17-40(18-16-39)34(44)31(41-13-6-7-33(41)43)21-25-9-10-26(35)22-28(25)36/h8-11,20,22-23,29,31H,6-7,12-19,21H2,1-5H3,(H,37,42)/t29-,31+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells |
J Med Chem 50: 6356-66 (2007)
Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50224184
(1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...)Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1C |r| Show InChI InChI=1S/C31H45ClN4O2/c1-21(2)30(33-29(37)12-13-34(6)7)27-18-22(3)8-11-28(27)35-14-16-36(17-15-35)31(38)24(5)19-25-9-10-26(32)20-23(25)4/h8-11,18,20-21,24,30H,12-17,19H2,1-7H3,(H,33,37)/t24-,30+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem 16: 5606-18 (2008)
Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50221120
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at mouse MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50221120
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to mouse MC4R |
J Med Chem 50: 6356-66 (2007)
Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221109
((R)-2-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophe...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H43Cl2N5O3/c1-20(2)16-27(36-31(41)22(4)35)25-17-21(3)7-10-28(25)37-12-14-38(15-13-37)32(42)29(39-11-5-6-30(39)40)18-23-8-9-24(33)19-26(23)34/h7-10,17,19-20,22,27,29H,5-6,11-16,18,35H2,1-4H3,(H,36,41)/t22-,27+,29-/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361005
(CHEMBL1935442)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316936
(2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-b...)Show InChI InChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3 | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50261229
(1-{2-[(1S)-((2R)-Aminopropionamido)-2-methylpropyl...)Show SMILES COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[C@@H](NC(=O)[C@@H](C)N)C(C)C |r| Show InChI InChI=1S/C28H38Cl2N4O3/c1-17(2)26(32-27(35)19(4)31)23-15-21(29)8-9-24(23)33-10-12-34(13-11-33)28(36)18(3)14-20-6-7-22(30)16-25(20)37-5/h6-9,15-19,26H,10-14,31H2,1-5H3,(H,32,35)/t18-,19-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem 16: 5606-18 (2008)
Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50214688
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]...)Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN Show InChI InChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences Inc
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells |
Bioorg Med Chem 15: 5166-76 (2007)
Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50214682
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trifluorome...)Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CCNCC1)C(F)(F)F Show InChI InChI=1S/C31H40Cl2F3N5O2/c1-19(2)15-26(37)24-17-22(31(34,35)36)4-6-28(24)40-11-13-41(14-12-40)30(43)27(16-21-3-5-23(32)18-25(21)33)39-29(42)20-7-9-38-10-8-20/h3-6,17-20,26-27,38H,7-16,37H2,1-2H3,(H,39,42)/t26-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences Inc
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells |
Bioorg Med Chem 15: 5166-76 (2007)
Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316940
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221114
(1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...)Show SMILES CC(C)C[C@H](NCCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H42Cl2FN5O2/c1-21(2)18-27(36-12-5-11-35)24-6-3-7-26(34)30(24)37-14-16-38(17-15-37)31(41)28(39-13-4-8-29(39)40)19-22-9-10-23(32)20-25(22)33/h3,6-7,9-10,20-21,27-28,36H,4-5,8,11-19,35H2,1-2H3/t27-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221120
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells |
J Med Chem 50: 6356-66 (2007)
Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221120
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221133
(1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...)Show SMILES CC(C)C[C@H](NCCCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H43Cl2N5O2/c1-22(2)19-27(35-13-6-12-34)25-7-3-4-8-28(25)36-15-17-37(18-16-36)31(40)29(38-14-5-9-30(38)39)20-23-10-11-24(32)21-26(23)33/h3-4,7-8,10-11,21-22,27,29,35H,5-6,9,12-20,34H2,1-2H3/t27-,29+/m0/s1 | PDB
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| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361001
(CHEMBL1935438)Show InChI InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361004
(CHEMBL1935441)Show SMILES Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50373508
(CHEMBL404549)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1 Show InChI InChI=1S/C34H48ClN5O3/c1-22(2)32(37-33(41)24(4)36)28-19-23(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-21-40(27-11-17-43-18-12-27)20-29(30)25-6-8-26(35)9-7-25/h5-10,19,22,24,27,29-30,32H,11-18,20-21,36H2,1-4H3,(H,37,41)/t24-,29-,30+,32-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 129-36 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50221120
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1 | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at rat MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50214704
(1-{4-[(1S)-2-(amino-3-methylbutyl)-4-fluorophenyl]...)Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN)C(F)(F)F Show InChI InChI=1S/C28H36Cl2F3N5O2/c1-17(2)13-23(35)21-15-19(28(31,32)33)4-6-25(21)37-9-11-38(12-10-37)27(40)24(36-26(39)7-8-34)14-18-3-5-20(29)16-22(18)30/h3-6,15-17,23-24H,7-14,34-35H2,1-2H3,(H,36,39)/t23-,24+/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells |
Bioorg Med Chem 15: 5166-76 (2007)
Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360999
(CHEMBL1935436)Show InChI InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221143
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)Show SMILES CC(C)C[C@H](NCCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C31H40Cl2F3N5O2/c1-20(2)16-26(38-10-9-37)24-18-22(31(34,35)36)6-8-27(24)39-12-14-40(15-13-39)30(43)28(41-11-3-4-29(41)42)17-21-5-7-23(32)19-25(21)33/h5-8,18-20,26,28,38H,3-4,9-17,37H2,1-2H3/t26-,28+/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221128
(CHEMBL412023 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)Show SMILES CNCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H43Cl2N5O3/c1-21(2)16-27(36-30(40)20-35-4)25-17-22(3)7-10-28(25)37-12-14-38(15-13-37)32(42)29(39-11-5-6-31(39)41)18-23-8-9-24(33)19-26(23)34/h7-10,17,19,21,27,29,35H,5-6,11-16,18,20H2,1-4H3,(H,36,40)/t27-,29+/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50235751
(CHEMBL255007 | {4-[2-((S)-1-amino-2-methyl-propyl)...)Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(=O)[C@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1 Show InChI InChI=1S/C36H44ClN5O2/c1-23(2)33(38)30-20-24(3)8-13-32(30)40-16-18-41(19-17-40)36(44)34-29(25-9-11-28(37)12-10-25)14-15-42(34)35(43)31-21-26-6-4-5-7-27(26)22-39-31/h4-13,20,23,29,31,33-34,39H,14-19,21-22,38H2,1-3H3/t29-,31-,33+,34-/m1/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1931-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221131
(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)Show SMILES CC(C)C[C@H](NC(=O)CCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C32H40Cl2F3N5O3/c1-20(2)16-26(39-29(43)9-10-38)24-18-22(32(35,36)37)6-8-27(24)40-12-14-41(15-13-40)31(45)28(42-11-3-4-30(42)44)17-21-5-7-23(33)19-25(21)34/h5-8,18-20,26,28H,3-4,9-17,38H2,1-2H3,(H,39,43)/t26-,28+/m0/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50261228
(1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...)Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1OC |r| Show InChI InChI=1S/C28H38Cl2N4O3/c1-18(2)27(32-26(35)17-31-4)23-15-21(29)8-9-24(23)33-10-12-34(13-11-33)28(36)19(3)14-20-6-7-22(30)16-25(20)37-5/h6-9,15-16,18-19,27,31H,10-14,17H2,1-5H3,(H,32,35)/t19-,27+/m1/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem 16: 5606-18 (2008)
Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361000
(CHEMBL1935437)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r| Show InChI InChI=1S/C19H20FN3/c20-16-9-7-14(8-10-16)13-23-18-6-2-1-5-17(18)22-19(23)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-13H2/t15-/m1/s1 | PDB
Reactome pathway
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50261231
(1-{2-[(1S)-(Azetidine-3-carboxamido)-2-methylpropy...)Show SMILES COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[C@@H](NC(=O)C1CNC1)C(C)C |r| Show InChI InChI=1S/C29H38Cl2N4O3/c1-18(2)27(33-28(36)21-16-32-17-21)24-14-22(30)7-8-25(24)34-9-11-35(12-10-34)29(37)19(3)13-20-5-6-23(31)15-26(20)38-4/h5-8,14-15,18-19,21,27,32H,9-13,16-17H2,1-4H3,(H,33,36)/t19-,27+/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem 16: 5606-18 (2008)
Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
Reactome pathway
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PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50166520
(1-Cyclopentyl-3-[(R)-1-(2,4-dichloro-benzyl)-2-oxo...)Show SMILES Clc1ccc(C[C@@H](NC(=O)NC2CCCC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)c(Cl)c1 Show InChI InChI=1S/C32H39Cl2N5O2S/c33-25-12-11-23(28(34)21-25)20-29(37-32(41)36-26-7-2-3-8-26)31(40)39-17-15-38(16-18-39)30-10-4-1-6-24(30)22-35-14-13-27-9-5-19-42-27/h1,4-6,9-12,19,21,26,29,35H,2-3,7-8,13-18,20,22H2,(H2,36,37,41)/t29-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand |
Bioorg Med Chem Lett 15: 2541-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50373512
(CHEMBL272538)Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1 Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35-/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 129-36 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221141
(CHEMBL397583 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C33H45Cl2N5O3/c1-22(2)18-28(37-31(41)11-12-36-4)26-19-23(3)7-10-29(26)38-14-16-39(17-15-38)33(43)30(40-13-5-6-32(40)42)20-24-8-9-25(34)21-27(24)35/h7-10,19,21-22,28,30,36H,5-6,11-18,20H2,1-4H3,(H,37,41)/t28-,30+/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50373512
(CHEMBL272538)Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1 Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35-/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 129-36 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221145
(1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...)Show SMILES CC(C)C[C@H](NCCCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C32H42Cl2F3N5O2/c1-21(2)17-27(39-11-4-10-38)25-19-23(32(35,36)37)7-9-28(25)40-13-15-41(16-14-40)31(44)29(42-12-3-5-30(42)43)18-22-6-8-24(33)20-26(22)34/h6-9,19-21,27,29,39H,3-5,10-18,38H2,1-2H3/t27-,29+/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50166533
(1-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)Show SMILES CC(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 Show InChI InChI=1S/C30H37Cl2N5O2S/c1-21(2)34-30(39)35-27(18-22-9-10-24(31)19-26(22)32)29(38)37-15-13-36(14-16-37)28-8-4-3-6-23(28)20-33-12-11-25-7-5-17-40-25/h3-10,17,19,21,27,33H,11-16,18,20H2,1-2H3,(H2,34,35,39)/t27-/m1/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand |
Bioorg Med Chem Lett 15: 2541-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221115
(1-((R)-1-(4-(2-((S)-1-((2-aminoethyl)(methyl)amino...)Show SMILES CC(C)C[C@H](N(C)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H42Cl2FN5O2/c1-21(2)18-27(36(3)13-11-35)24-6-4-7-26(34)30(24)37-14-16-38(17-15-37)31(41)28(39-12-5-8-29(39)40)19-22-9-10-23(32)20-25(22)33/h4,6-7,9-10,20-21,27-28H,5,8,11-19,35H2,1-3H3/t27-,28+/m0/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50166523
(CHEMBL195110 | Pyrrolidine-1-carboxylic acid [(R)-...)Show SMILES Clc1ccc(C[C@@H](NC(=O)N2CCCC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)c(Cl)c1 Show InChI InChI=1S/C31H37Cl2N5O2S/c32-25-10-9-23(27(33)21-25)20-28(35-31(40)38-13-3-4-14-38)30(39)37-17-15-36(16-18-37)29-8-2-1-6-24(29)22-34-12-11-26-7-5-19-41-26/h1-2,5-10,19,21,28,34H,3-4,11-18,20,22H2,(H,35,40)/t28-/m1/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand |
Bioorg Med Chem Lett 15: 2541-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50221121
(CHEMBL397584 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C33H45Cl2N5O3/c1-23(2)20-28(36-31(41)13-15-37(3)4)26-8-5-6-9-29(26)38-16-18-39(19-17-38)33(43)30(40-14-7-10-32(40)42)21-24-11-12-25(34)22-27(24)35/h5-6,8-9,11-12,22-23,28,30H,7,10,13-21H2,1-4H3,(H,36,41)/t28-,30+/m0/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human MC4R |
Bioorg Med Chem Lett 17: 5610-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186909
((R)-N-(1-(4-(2-((2-methoxyphenethylamino)methyl)ph...)Show SMILES COc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN Show InChI InChI=1S/C32H39Cl2N5O3/c1-42-30-9-5-3-6-23(30)13-15-36-22-25-7-2-4-8-29(25)38-16-18-39(19-17-38)32(41)28(37-31(40)12-14-35)20-24-10-11-26(33)21-27(24)34/h2-11,21,28,36H,12-20,22,35H2,1H3,(H,37,40)/t28-/m1/s1 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3693-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50166544
(1-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)Show SMILES CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 Show InChI InChI=1S/C29H35Cl2N5O2S/c1-2-33-29(38)34-26(18-21-9-10-23(30)19-25(21)31)28(37)36-15-13-35(14-16-36)27-8-4-3-6-22(27)20-32-12-11-24-7-5-17-39-24/h3-10,17,19,26,32H,2,11-16,18,20H2,1H3,(H2,33,34,38)/t26-/m1/s1 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand |
Bioorg Med Chem Lett 15: 2541-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50158484
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 |r| Show InChI InChI=1S/C29H35Cl2N5O2S/c30-23-8-7-21(25(31)19-23)18-26(34-28(37)9-11-32)29(38)36-15-13-35(14-16-36)27-6-2-1-4-22(27)20-33-12-10-24-5-3-17-39-24/h1-8,17,19,26,33H,9-16,18,20,32H2,(H,34,37)/t26-/m1/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand |
Bioorg Med Chem Lett 15: 2541-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50214695
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trifluorome...)Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)=O)C(F)(F)F Show InChI InChI=1S/C27H33Cl2F3N4O2/c1-16(2)12-23(33)21-14-19(27(30,31)32)5-7-25(21)35-8-10-36(11-9-35)26(38)24(34-17(3)37)13-18-4-6-20(28)15-22(18)29/h4-7,14-16,23-24H,8-13,33H2,1-3H3,(H,34,37)/t23-,24+/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells |
Bioorg Med Chem 15: 5166-76 (2007)
Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50214689
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trifluorome...)Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN)C(F)(F)F Show InChI InChI=1S/C27H34Cl2F3N5O2/c1-16(2)11-22(34)20-13-18(27(30,31)32)4-6-24(20)36-7-9-37(10-8-36)26(39)23(35-25(38)15-33)12-17-3-5-19(28)14-21(17)29/h3-6,13-14,16,22-23H,7-12,15,33-34H2,1-2H3,(H,35,38)/t22-,23+/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells |
Bioorg Med Chem 15: 5166-76 (2007)
Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P |
More data for this
Ligand-Target Pair | |
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