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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.6
BDBM50217770

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 1


(Mus musculus)
BDBM50217770
PNG
(CHEMBL393753 | N-(4-((4-aminocyclohexyl)methyl)cyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccn2)C(=O)CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C31H42N4O/c32-26-15-11-23(12-16-26)20-24-13-17-28(18-14-24)35(22-27-7-3-4-19-33-27)31(36)10-5-6-25-21-34-30-9-2-1-8-29(25)30/h1-4,7-9,19,21,23-24,26,28,34H,5-6,10-18,20,22,32H2
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217770
PNG
(CHEMBL393753 | N-(4-((4-aminocyclohexyl)methyl)cyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccn2)C(=O)CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C31H42N4O/c32-26-15-11-23(12-16-26)20-24-13-17-28(18-14-24)35(22-27-7-3-4-19-33-27)31(36)10-5-6-25-21-34-30-9-2-1-8-29(25)30/h1-4,7-9,19,21,23-24,26,28,34H,5-6,10-18,20,22,32H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50217770
PNG
(CHEMBL393753 | N-(4-((4-aminocyclohexyl)methyl)cyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccn2)C(=O)CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C31H42N4O/c32-26-15-11-23(12-16-26)20-24-13-17-28(18-14-24)35(22-27-7-3-4-19-33-27)31(36)10-5-6-25-21-34-30-9-2-1-8-29(25)30/h1-4,7-9,19,21,23-24,26,28,34H,5-6,10-18,20,22,32H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC3 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50217770
PNG
(CHEMBL393753 | N-(4-((4-aminocyclohexyl)methyl)cyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccn2)C(=O)CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C31H42N4O/c32-26-15-11-23(12-16-26)20-24-13-17-28(18-14-24)35(22-27-7-3-4-19-33-27)31(36)10-5-6-25-21-34-30-9-2-1-8-29(25)30/h1-4,7-9,19,21,23-24,26,28,34H,5-6,10-18,20,22,32H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.90E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair