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BDBM50149453 CHEMBL3770359

SMILES: Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1

InChI Key: InChIKey=LAMBIBHLZLVLFX-UHFFFAOYSA-N

Data: 5 IC50

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 = 50149453   
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


(Homo sapiens (Human))
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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PC sid
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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PubMed
n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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PubMed
n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp test


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH (4 to 19 residues)-stimulated intracellular calcium mobilizat...


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair