BindingDB logo
myBDB logout

BDBM50241960 CHEMBL4061233

SMILES: Fc1ccc(N\N=C(/C#N)C(=O)c2noc3ccccc23)cc1Cl

InChI Key: InChIKey=XLPHDYVUBGODSJ-FYJGNVAPSA-N

Data: 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 1 hit for monomerid = 50241960   
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
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241960
PNG
(CHEMBL4061233)
Show SMILES Fc1ccc(N\N=C(/C#N)C(=O)c2noc3ccccc23)cc1Cl
Show InChI InChI=1S/C16H8ClFN4O2/c17-11-7-9(5-6-12(11)18)20-21-13(8-19)16(23)15-10-3-1-2-4-14(10)24-22-15/h1-7,20H/b21-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
In vito concentration required to displace [3H]-BRM (Kd = 1.0 nM and concentration is 1.8 nM) from opioid receptor kappa 2 in guinea brain membranes.


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair