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SMILES: Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CC1

InChI Key: InChIKey=LJPAFJGPXZHKBA-NYYWCZLTSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50381485   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50381485
PNG
(CHEMBL2017593)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CC1
Show InChI InChI=1S/C26H27ClN4O2/c1-17-22-16-21(29-24(32)11-4-18-2-7-20(27)8-3-18)9-10-23(22)30-25(28-17)31-14-12-26(33,13-15-31)19-5-6-19/h2-4,7-11,16,19,33H,5-6,12-15H2,1H3,(H,29,32)/b11-4+
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n/an/a 149n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50381485
PNG
(CHEMBL2017593)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CC1
Show InChI InChI=1S/C26H27ClN4O2/c1-17-22-16-21(29-24(32)11-4-18-2-7-20(27)8-3-18)9-10-23(22)30-25(28-17)31-14-12-26(33,13-15-31)19-5-6-19/h2-4,7-11,16,19,33H,5-6,12-15H2,1H3,(H,29,32)/b11-4+
PDB
MMDB

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PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by voltage clamp electrophysiology assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381485
PNG
(CHEMBL2017593)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CC1
Show InChI InChI=1S/C26H27ClN4O2/c1-17-22-16-21(29-24(32)11-4-18-2-7-20(27)8-3-18)9-10-23(22)30-25(28-17)31-14-12-26(33,13-15-31)19-5-6-19/h2-4,7-11,16,19,33H,5-6,12-15H2,1H3,(H,29,32)/b11-4+
Reactome pathway
KEGG

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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair