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BDBM50225603 CHEMBL400263::N-(4-(((1-(4-((3S,4R)-3-(4-chlorophenyl)-1-isopropylpyrrolidine-4-carbonyl)piperazin-1-yl)cyclohexyl)methylamino)methyl)phenyl)acetamide

SMILES: CC(C)N1C[C@@H]([C@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1(CNCc2ccc(NC(C)=O)cc2)CCCCC1

InChI Key: InChIKey=GKBZIDAPUQDQQA-ZWXJPIIXSA-N

Data: 1 KI  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50225603   
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))
BDBM50225603
PNG
(CHEMBL400263 | N-(4-(((1-(4-((3S,4R)-3-(4-chloroph...)
Show SMILES CC(C)N1C[C@@H]([C@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1(CNCc2ccc(NC(C)=O)cc2)CCCCC1
Show InChI InChI=1S/C34H48ClN5O2/c1-25(2)39-22-31(28-9-11-29(35)12-10-28)32(23-39)33(42)38-17-19-40(20-18-38)34(15-5-4-6-16-34)24-36-21-27-7-13-30(14-8-27)37-26(3)41/h7-14,25,31-32,36H,4-6,15-24H2,1-3H3,(H,37,41)/t31-,32+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/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))
BDBM50225603
PNG
(CHEMBL400263 | N-(4-(((1-(4-((3S,4R)-3-(4-chloroph...)
Show SMILES CC(C)N1C[C@@H]([C@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1(CNCc2ccc(NC(C)=O)cc2)CCCCC1
Show InChI InChI=1S/C34H48ClN5O2/c1-25(2)39-22-31(28-9-11-29(35)12-10-28)32(23-39)33(42)38-17-19-40(20-18-38)34(15-5-4-6-16-34)24-36-21-27-7-13-30(14-8-27)37-26(3)41/h7-14,25,31-32,36H,4-6,15-24H2,1-3H3,(H,37,41)/t31-,32+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 190n/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