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BDBM50119366 (R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((2-methyl-2H-tetrazol-5-yl)methyl)piperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {1-(4-chloro-benzyl)-2-[4-cyclohexyl-4-(2-methyl-2H-tetrazol-5-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL140738

SMILES: Cn1nnc(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)n1

InChI Key: InChIKey=HKMLEGOMDNGINA-FQLXRVMXSA-N

Data: 1 KI  1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50119366   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119366
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Cn1nnc(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)n1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-38-30(37-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production


J Med Chem 47: 6821-30 (2004)


Article DOI: 10.1021/jm049278i
BindingDB Entry DOI: 10.7270/Q2610ZSQ
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50119366
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Cn1nnc(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)n1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-38-30(37-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for Functional Activity at MC5R as effective concentration at 50% maximum CMP accumulation


J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119366
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Cn1nnc(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)n1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-38-30(37-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells


J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119366
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Cn1nnc(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)n1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-38-30(37-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 9.60n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation


J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair