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BDBM50225626 (4-(1-((3-methoxybenzylamino)methyl)cyclohexyl)piperazin-1-yl)((3R,4S)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone::CHEMBL249065

SMILES: COc1cccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)c1

InChI Key: InChIKey=FRVHFPVHFOCZKS-JSOSNVBQSA-N

Data: 1 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50225626   
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))
BDBM50225626
PNG
((4-(1-((3-methoxybenzylamino)methyl)cyclohexyl)pip...)
Show SMILES COc1cccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)c1
Show InChI InChI=1S/C33H47ClN4O2/c1-25(2)37-22-30(27-10-12-28(34)13-11-27)31(23-37)32(39)36-16-18-38(19-17-36)33(14-5-4-6-15-33)24-35-21-26-8-7-9-29(20-26)40-3/h7-13,20,25,30-31,35H,4-6,14-19,21-24H2,1-3H3/t30-,31+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6825-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.032
BindingDB Entry DOI: 10.7270/Q2862G5Z
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50225626
PNG
((4-(1-((3-methoxybenzylamino)methyl)cyclohexyl)pip...)
Show SMILES COc1cccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)c1
Show InChI InChI=1S/C33H47ClN4O2/c1-25(2)37-22-30(27-10-12-28(34)13-11-27)31(23-37)32(39)36-16-18-38(19-17-36)33(14-5-4-6-15-33)24-35-21-26-8-7-9-29(20-26)40-3/h7-13,20,25,30-31,35H,4-6,14-19,21-24H2,1-3H3/t30-,31+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonist activity at MC4R assessed as stimulation of cAMP release


Bioorg Med Chem Lett 17: 6825-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.032
BindingDB Entry DOI: 10.7270/Q2862G5Z
More data for this
Ligand-Target Pair