BindingDB logo
myBDB logout

BDBM50390995 CHEMBL2074949

SMILES: COc1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1OC

InChI Key: InChIKey=UWXCCZITYWUQSN-UHFFFAOYSA-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 = 50390995   
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
P-glycoprotein 1


(Homo sapiens (Human))		BDBM50390995
PNG
(CHEMBL2074949)
Show SMILES COc1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H31NO2/c1-25-22-11-10-20(18-23(22)26-2)9-6-14-24-15-12-21(13-16-24)17-19-7-4-3-5-8-19/h3-5,7-8,10-11,18,21H,6,9,12-17H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells

Mol Pharmacol 61: 964-73 (2002)


BindingDB Entry DOI: 10.7270/Q2W95B7Z
More data for this
Ligand-Target Pair