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SMILES: Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCOCC1

InChI Key: InChIKey=CXIJRPMGXAAZGG-RUDMXATFSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381509   
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))
BDBM50381509
PNG
(CHEMBL2017740)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30ClN5O2/c1-19-24-18-22(30-26(34)9-4-20-2-5-21(28)6-3-20)7-8-25(24)31-27(29-19)33-12-10-23(11-13-33)32-14-16-35-17-15-32/h2-9,18,23H,10-17H2,1H3,(H,30,34)/b9-4+
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381509
PNG
(CHEMBL2017740)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30ClN5O2/c1-19-24-18-22(30-26(34)9-4-20-2-5-21(28)6-3-20)7-8-25(24)31-27(29-19)33-12-10-23(11-13-33)32-14-16-35-17-15-32/h2-9,18,23H,10-17H2,1H3,(H,30,34)/b9-4+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/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