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BDBM50120623 CHEMBL3618335

SMILES: OC1CCN(CC1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=GFGHQEWOLXQMRD-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50120623   
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))
BDBM50120623
PNG
(CHEMBL3618335)
Show SMILES OC1CCN(CC1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN5O2/c23-17-3-1-15(2-4-17)16-11-20-22(30)27(14-25-28(20)13-16)18-5-6-21(24-12-18)26-9-7-19(29)8-10-26/h1-6,11-14,19,29H,7-10H2
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PubMed
12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.018
BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120623
PNG
(CHEMBL3618335)
Show SMILES OC1CCN(CC1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN5O2/c23-17-3-1-15(2-4-17)16-11-20-22(30)27(14-25-28(20)13-16)18-5-6-21(24-12-18)26-9-7-19(29)8-10-26/h1-6,11-14,19,29H,7-10H2
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.018
BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50120623
PNG
(CHEMBL3618335)
Show SMILES OC1CCN(CC1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN5O2/c23-17-3-1-15(2-4-17)16-11-20-22(30)27(14-25-28(20)13-16)18-5-6-21(24-12-18)26-9-7-19(29)8-10-26/h1-6,11-14,19,29H,7-10H2
PDB
MMDB

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



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells assessed as channel current by Q-patch electrophysiological assay


Bioorg Med Chem Lett 25: 4412-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.018
BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50120623
PNG
(CHEMBL3618335)
Show SMILES OC1CCN(CC1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN5O2/c23-17-3-1-15(2-4-17)16-11-20-22(30)27(14-25-28(20)13-16)18-5-6-21(24-12-18)26-9-7-19(29)8-10-26/h1-6,11-14,19,29H,7-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by flux assay


Bioorg Med Chem Lett 25: 4412-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.018
BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair