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SMILES: COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1

InChI Key: InChIKey=FGJFPWDOUNOKFZ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 119755   
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))
BDBM119755
PNG
(US8685958, 4 | US8685958, 5)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1
Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3
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US Patent
n/an/a 16n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Melanin Concentrating Hormone Receptor 1 (MCHR1) is a G-protein coupled receptor that interacts with heterotrimeric G proteins containing a Gαi/...


US Patent US8685958 (2014)


BindingDB Entry DOI: 10.7270/Q2416VQ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM119755
PNG
(US8685958, 4 | US8685958, 5)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1
Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3
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US Patent
n/an/a 19n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Melanin Concentrating Hormone Receptor 1 (MCHR1) is a G-protein coupled receptor that interacts with heterotrimeric G proteins containing a Gαi/...


US Patent US8685958 (2014)


BindingDB Entry DOI: 10.7270/Q2416VQ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM119755
PNG
(US8685958, 4 | US8685958, 5)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1
Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3
PDB
MMDB

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n/an/a 1.30E+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


(Mus musculus)
BDBM119755
PNG
(US8685958, 4 | US8685958, 5)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1
Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM119755
PNG
(US8685958, 4 | US8685958, 5)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1
Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 16n/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