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SMILES: CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1

InChI Key: InChIKey=CHGWCIZLGDMPIW-UHFFFAOYSA-N

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

Found 2 hits for monomerid = 50215820   
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))
BDBM50215820
PNG
(2-(benzo[b]thiophen-2-yl)-N,N-diisopentyl-3-(3-(pi...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H46N4OS/c1-25(2)15-21-37(22-16-26(3)4)34(39)28-13-14-29-30(23-28)38(20-10-19-36-17-8-5-9-18-36)33(35-29)32-24-27-11-6-7-12-31(27)40-32/h6-7,11-14,23-26H,5,8-10,15-22H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215820
PNG
(2-(benzo[b]thiophen-2-yl)-N,N-diisopentyl-3-(3-(pi...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H46N4OS/c1-25(2)15-21-37(22-16-26(3)4)34(39)28-13-14-29-30(23-28)38(20-10-19-36-17-8-5-9-18-36)33(35-29)32-24-27-11-6-7-12-31(27)40-32/h6-7,11-14,23-26H,5,8-10,15-22H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair