BindingDB logo
myBDB logout

null

SMILES: COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1

InChI Key: InChIKey=AYPYBHONFLZDMF-BJMVGYQFSA-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 = 50381529   
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))
BDBM50381529
PNG
(CHEMBL2017760)
Show SMILES COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H28ClN5O3/c1-17-22-15-21(30-24(33)10-5-18-3-6-19(27)7-4-18)8-9-23(22)31-26(28-17)32-13-11-20(12-14-32)29-25(34)16-35-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,29,34)(H,30,33)/b10-5+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50381529
PNG
(CHEMBL2017760)
Show SMILES COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H28ClN5O3/c1-17-22-15-21(30-24(33)10-5-18-3-6-19(27)7-4-18)8-9-23(22)31-26(28-17)32-13-11-20(12-14-32)29-25(34)16-35-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,29,34)(H,30,33)/b10-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by voltage clamp electrophysiology assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381529
PNG
(CHEMBL2017760)
Show SMILES COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H28ClN5O3/c1-17-22-15-21(30-24(33)10-5-18-3-6-19(27)7-4-18)8-9-23(22)31-26(28-17)32-13-11-20(12-14-32)29-25(34)16-35-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,29,34)(H,30,33)/b10-5+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair