BindingDB logo
myBDB logout

BDBM50172444 (E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide::CHEMBL194459

SMILES: CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1

InChI Key: InChIKey=WYHCKMLXSRWVQF-IZZDOVSWSA-N

Data: 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 2 hits for monomerid = 50172444   
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))
BDBM50172444
PNG
((E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinoli...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H27F3N4O2/c1-3-32-12-14-33(15-13-32)24-16-18(2)22-17-20(7-10-23(22)31-24)30-25(34)11-6-19-4-8-21(9-5-19)35-26(27,28)29/h4-11,16-17H,3,12-15H2,1-2H3,(H,30,34)/b11-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 150p M [125I]-MCH from human MCH1R expressed in CHO-K1 cells


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172444
PNG
((E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinoli...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H27F3N4O2/c1-3-32-12-14-33(15-13-32)24-16-18(2)22-17-20(7-10-23(22)31-24)30-25(34)11-6-19-4-8-21(9-5-19)35-26(27,28)29/h4-11,16-17H,3,12-15H2,1-2H3,(H,30,34)/b11-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair