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BDBM50151504 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-piperazin-1-yl)-2-oxo-ethyl]-amide::CHEMBL361052

SMILES: Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1

InChI Key: InChIKey=YGHRPBJBMRFBDH-SSYAZFEXSA-N

Data: 4 KI

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 = 50151504   
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))
BDBM50151504
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C29H37ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h4-7,10-13,25-27,31H,1-3,8-9,14-20H2,(H,32,35)/t26?,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50151504
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C29H37ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h4-7,10-13,25-27,31H,1-3,8-9,14-20H2,(H,32,35)/t26?,27-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50151504
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C29H37ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h4-7,10-13,25-27,31H,1-3,8-9,14-20H2,(H,32,35)/t26?,27-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.20E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50151504
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C29H37ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h4-7,10-13,25-27,31H,1-3,8-9,14-20H2,(H,32,35)/t26?,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair