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BDBM50296886 (1-((1R,4R)-4-((R)-1-(3-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-4-phenylpiperidin-4-yl)(pyrrolidin-1-yl)methanone::CHEMBL562532

SMILES: COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1

InChI Key: InChIKey=QYZHZZJEYNWHAF-CZMKHNCBSA-N

Data: 1 KI  1 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 = 50296886   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296886
PNG
((1-((1R,4R)-4-((R)-1-(3-methoxyphenyl)ethylamino)-...)
Show SMILES COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-11-10-14-29(23-26)40-4)35-28-15-16-30(33(2,3)24-28)31(38)36-21-17-34(18-22-36,27-12-6-5-7-13-27)32(39)37-19-8-9-20-37/h5-7,10-14,23,25,28,30,35H,8-9,15-22,24H2,1-4H3/t25-,28-,30+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
210n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296886
PNG
((1-((1R,4R)-4-((R)-1-(3-methoxyphenyl)ethylamino)-...)
Show SMILES COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-11-10-14-29(23-26)40-4)35-28-15-16-30(33(2,3)24-28)31(38)36-21-17-34(18-22-36,27-12-6-5-7-13-27)32(39)37-19-8-9-20-37/h5-7,10-14,23,25,28,30,35H,8-9,15-22,24H2,1-4H3/t25-,28-,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair