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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 = 'BDBM50164246'   
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))
BDBM50164246
PNG
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)
Show SMILES CN1CCN(CCCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1
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Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50164246
PNG
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)
Show SMILES CN1CCN(CCCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for mouse Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair