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BDBM50162725 (S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-oxo-2-[4-(2-phenylmethanesulfonylamino-phenyl)-piperazin-1-yl]-ethyl}-amide::CHEMBL180854

SMILES: Clc1ccc(C[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2NS(=O)(=O)Cc2ccccc2)cc1

InChI Key: InChIKey=LHDFIWUZFKJCBX-JHOUSYSJSA-N

Data: 1 IC50  1 EC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50162725   
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))
BDBM50162725
PNG
((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C36H38ClN5O4S/c37-30-16-14-26(15-17-30)22-33(39-35(43)32-23-28-10-4-5-11-29(28)24-38-32)36(44)42-20-18-41(19-21-42)34-13-7-6-12-31(34)40-47(45,46)25-27-8-2-1-3-9-27/h1-17,32-33,38,40H,18-25H2,(H,39,43)/t32-,33+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 65n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Effective concentration determined against melanocortin-4 receptor


Bioorg Med Chem Lett 15: 1623-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.060
BindingDB Entry DOI: 10.7270/Q2DV1JCW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50162725
PNG
((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C36H38ClN5O4S/c37-30-16-14-26(15-17-30)22-33(39-35(43)32-23-28-10-4-5-11-29(28)24-38-32)36(44)42-20-18-41(19-21-42)34-13-7-6-12-31(34)40-47(45,46)25-27-8-2-1-3-9-27/h1-17,32-33,38,40H,18-25H2,(H,39,43)/t32-,33+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against melanocortin 4 receptor using [125I]NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 1623-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.060
BindingDB Entry DOI: 10.7270/Q2DV1JCW
More data for this
Ligand-Target Pair