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BDBM50224681 1-((3S,4R)-3-(1-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)piperazine-4-carbonyl)-4-(4-chlorophenyl)pyrrolidin-1-yl)butan-1-one::CHEMBL235676

SMILES: CCCC(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1c(F)cccc1[C@@H](N)C(C)C

InChI Key: InChIKey=TTWAQSCAGXHVJB-XFAFFCHDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224681   
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))
BDBM50224681
PNG
(1-((3S,4R)-3-(1-(2-((S)-1-amino-2-methylpropyl)-6-...)
Show SMILES CCCC(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1c(F)cccc1[C@@H](N)C(C)C
Show InChI InChI=1S/C29H38ClFN4O2/c1-4-6-26(36)35-17-23(20-9-11-21(30)12-10-20)24(18-35)29(37)34-15-13-33(14-16-34)28-22(27(32)19(2)3)7-5-8-25(28)31/h5,7-12,19,23-24,27H,4,6,13-18,32H2,1-3H3/t23-,24+,27-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
260n/an/an/an/an/an/an/an/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 17: 6546-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.079
BindingDB Entry DOI: 10.7270/Q2MP5307
More data for this
Ligand-Target Pair