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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 = 'BDBM50371871'   
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))
BDBM50371871
PNG
(CHEMBL255112)
Show SMILES CO[C@H]1CN(CCCc2cccc(NC(=O)C3CC3)c2)CC[C@@H]1n1c(C)nc2cc(C)ccc12
Show InChI InChI=1S/C28H36N4O2/c1-19-9-12-25-24(16-19)29-20(2)32(25)26-13-15-31(18-27(26)34-3)14-5-7-21-6-4-8-23(17-21)30-28(33)22-10-11-22/h4,6,8-9,12,16-17,22,26-27H,5,7,10-11,13-15,18H2,1-3H3,(H,30,33)/t26-,27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371871
PNG
(CHEMBL255112)
Show SMILES CO[C@H]1CN(CCCc2cccc(NC(=O)C3CC3)c2)CC[C@@H]1n1c(C)nc2cc(C)ccc12
Show InChI InChI=1S/C28H36N4O2/c1-19-9-12-25-24(16-19)29-20(2)32(25)26-13-15-31(18-27(26)34-3)14-5-7-21-6-4-8-23(17-21)30-28(33)22-10-11-22/h4,6,8-9,12,16-17,22,26-27H,5,7,10-11,13-15,18H2,1-3H3,(H,30,33)/t26-,27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair