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SMILES: COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1

InChI Key: InChIKey=DATKXEGBFDTYBY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50159336   
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))
BDBM50159336
PNG
(CHEMBL3787462)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1
Show InChI InChI=1S/C28H34N4O5/c1-28(2)18-31(17-24(28)33)16-19-4-8-22(9-5-19)36-23-12-14-32(15-13-23)27(34)26-30-29-25(37-26)20-6-10-21(35-3)11-7-20/h4-11,23-24,33H,12-18H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins...


J Med Chem 59: 2497-511 (2016)


BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50159336
PNG
(CHEMBL3787462)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1
Show InChI InChI=1S/C28H34N4O5/c1-28(2)18-31(17-24(28)33)16-19-4-8-22(9-5-19)36-23-12-14-32(15-13-23)27(34)26-30-29-25(37-26)20-6-10-21(35-3)11-7-20/h4-11,23-24,33H,12-18H2,1-3H3
PDB
MMDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWork assay


J Med Chem 59: 2497-511 (2016)


BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50159336
PNG
(CHEMBL3787462)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1
Show InChI InChI=1S/C28H34N4O5/c1-28(2)18-31(17-24(28)33)16-19-4-8-22(9-5-19)36-23-12-14-32(15-13-23)27(34)26-30-29-25(37-26)20-6-10-21(35-3)11-7-20/h4-11,23-24,33H,12-18H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 39n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr13-MCH from human MCHR1 expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis


J Med Chem 59: 2497-511 (2016)


BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair