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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50209710'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50209710
PNG
(3-[1,1-di(acetyloxymethyl)propyl]-1-(3'-cyano-4-bi...)
Show SMILES CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C39H48N4O5/c1-5-39(27-47-30(3)44,28-48-31(4)45)41-38(46)43(26-34-13-15-36(16-14-34)37-8-6-7-35(23-37)24-40)22-19-32-17-20-42(21-18-32)25-33-11-9-29(2)10-12-33/h6-16,23,32H,5,17-22,25-28H2,1-4H3,(H,41,46)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP-7941 from human MCHR1 expressed in HEK cells


Bioorg Med Chem 18: 7365-79 (2010)


Article DOI: 10.1016/j.bmc.2010.09.014
BindingDB Entry DOI: 10.7270/Q2D50N72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50209710
PNG
(3-[1,1-di(acetyloxymethyl)propyl]-1-(3'-cyano-4-bi...)
Show SMILES CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CCN(Cc2ccc(C)cc2)CC1)Cc1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C39H48N4O5/c1-5-39(27-47-30(3)44,28-48-31(4)45)41-38(46)43(26-34-13-15-36(16-14-34)37-8-6-7-35(23-37)24-40)22-19-32-17-20-42(21-18-32)25-33-11-9-29(2)10-12-33/h6-16,23,32H,5,17-22,25-28H2,1-4H3,(H,41,46)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP from human MCH1 receptor expressed in HEK cells


Bioorg Med Chem 15: 3896-911 (2007)


Article DOI: 10.1016/j.bmc.2007.02.049
BindingDB Entry DOI: 10.7270/Q2RJ4J6S
More data for this
Ligand-Target Pair