BindingDB logo
myBDB logout

BDBM50337431 (1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide::CHEMBL1682634

SMILES: CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=YETKRYBVNARESA-XYFQYJLHSA-N

Data: 1 KI

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 1 hit for monomerid = 50337431   
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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337431
PNG
((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C32H34Cl2FN3O2/c1-22(39)36-31(24-6-4-3-5-7-24)14-16-38(17-15-31)21-26-19-32(26,25-10-13-28(33)29(34)18-25)30(40)37(2)20-23-8-11-27(35)12-9-23/h3-13,18,26H,14-17,19-21H2,1-2H3,(H,36,39)/t26-,32+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair