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BDBM50115958 CHEMBL3612158

SMILES: CCN(CC)CCCn1c(=O)\c(=C\c2ccccc2O)s\c1=C1/C(=O)Nc2ccc(C)cc12

InChI Key: InChIKey=PGGGDHIVFAZZRO-ACSFPLRCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50115958   
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))
BDBM50115958
PNG
(CHEMBL3612158)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccccc2O)s\c1=C1/C(=O)Nc2ccc(C)cc12
Show InChI InChI=1S/C26H29N3O3S/c1-4-28(5-2)13-8-14-29-25(32)22(16-18-9-6-7-10-21(18)30)33-26(29)23-19-15-17(3)11-12-20(19)27-24(23)31/h6-7,9-12,15-16,30H,4-5,8,13-14H2,1-3H3,(H,27,31)/b22-16-,26-23-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.71E+3n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)


BindingDB Entry DOI: 10.7270/Q2PN97FH
More data for this
Ligand-Target Pair