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SMILES: Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1

InChI Key: InChIKey=XKBGQXMBRCPCCL-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 3 hits for monomerid = 50159282   
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))
BDBM50159282
PNG
(CHEMBL3786375)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C25H27ClN4O3/c26-20-7-5-19(6-8-20)23-27-28-24(33-23)25(31)30-15-11-22(12-16-30)32-21-9-3-18(4-10-21)17-29-13-1-2-14-29/h3-10,22H,1-2,11-17H2
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PC cid
PC sid
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PubMed
n/an/a 20n/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))
BDBM50159282
PNG
(CHEMBL3786375)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C25H27ClN4O3/c26-20-7-5-19(6-8-20)23-27-28-24(33-23)25(31)30-15-11-22(12-16-30)32-21-9-3-18(4-10-21)17-29-13-1-2-14-29/h3-10,22H,1-2,11-17H2
PDB
MMDB

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n/an/a 5.50E+3n/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))
BDBM50159282
PNG
(CHEMBL3786375)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C25H27ClN4O3/c26-20-7-5-19(6-8-20)23-27-28-24(33-23)25(31)30-15-11-22(12-16-30)32-21-9-3-18(4-10-21)17-29-13-1-2-14-29/h3-10,22H,1-2,11-17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr13-MCH from MCHR1 (unknown origin) expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysi...


J Med Chem 59: 2497-511 (2016)


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