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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 = 'BDBM50188832'   
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))
BDBM50188832
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES COc1ccc(c(C)c1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C28H29N3O3/c1-18-13-22(33-4)7-9-23(18)19-5-8-24-26(14-19)34-17-25(28(24)32)20-6-10-27(29-15-20)31-12-11-21(16-31)30(2)3/h5-10,13-15,17,21H,11-12,16H2,1-4H3
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Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188832
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES COc1ccc(c(C)c1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C28H29N3O3/c1-18-13-22(33-4)7-9-23(18)19-5-8-24-26(14-19)34-17-25(28(24)32)20-6-10-27(29-15-20)31-12-11-21(16-31)30(2)3/h5-10,13-15,17,21H,11-12,16H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Activity at human MCH1R by GTPgammaS assay


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair