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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 = 'BDBM50198492'   
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))
BDBM50198492
PNG
(CHEMBL217860 | N-[(2S)-6-[(1,1-dioxo-1,4-thiomorph...)
Show SMILES CN([C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H31FN2O3S/c1-31(29(33)24-6-4-22(5-7-24)23-8-11-27(30)12-9-23)28-13-10-25-18-21(2-3-26(25)19-28)20-32-14-16-36(34,35)17-15-32/h2-9,11-12,18,28H,10,13-17,19-20H2,1H3/t28-/m0/s1
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
755n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198492
PNG
(CHEMBL217860 | N-[(2S)-6-[(1,1-dioxo-1,4-thiomorph...)
Show SMILES CN([C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H31FN2O3S/c1-31(29(33)24-6-4-22(5-7-24)23-8-11-27(30)12-9-23)28-13-10-25-18-21(2-3-26(25)19-28)20-32-14-16-36(34,35)17-15-32/h2-9,11-12,18,28H,10,13-17,19-20H2,1H3/t28-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126741
BindingDB Entry DOI: 10.7270/Q2GH9NDS
More data for this
Ligand-Target Pair