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BDBM50249649 CHEMBL490121::Dimethyl-(8-phenyl-2,3,5,6-tetrahydro-1H,4H-13-selena-3a-aza-benzo[de]naphthacen-11-ylidene)-ammonium hexafluoro phosphate

InChI string: InChI=1S/C27H27N2Se/c1-28(2)20-12-13-21-24(17-20)30-27-22-11-7-15-29-14-6-10-19(26(22)29)16-23(27)25(21)18-8-4-3-5-9-18/h3-5,8-9,12-13,16-17H,6-7,10-11,14-15H2,1-2H3/q+1

SMILES: C[N+](C)=c1ccc2c(-c3ccccc3)c3cc4CCCN5CCCc(c45)c3[se]c2c1

InChI Key: InChIKey=OQGXCRJXQAJTPP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50249649   
Target
(Institution)
LigandTarget
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 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50249649
PNG
(CHEMBL490121 | Dimethyl-(8-phenyl-2,3,5,6-tetrahyd...)
Show SMILES C[N+](C)=c1ccc2c(-c3ccccc3)c3cc4CCCN5CCCc(c45)c3[se]c2c1
Show InChI InChI=1S/C27H27N2Se/c1-28(2)20-12-13-21-24(17-20)30-27-22-11-7-15-29-14-6-10-19(26(22)29)16-23(27)25(21)18-8-4-3-5-9-18/h3-5,8-9,12-13,16-17H,6-7,10-11,14-15H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of verapamil-stimulated ATPase activity of human histidine10-tagged MDR1 expressed in BHK cells


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50249649
PNG
(CHEMBL490121 | Dimethyl-(8-phenyl-2,3,5,6-tetrahyd...)
Show SMILES C[N+](C)=c1ccc2c(-c3ccccc3)c3cc4CCCN5CCCc(c45)c3[se]c2c1
Show InChI InChI=1S/C27H27N2Se/c1-28(2)20-12-13-21-24(17-20)30-27-22-11-7-15-29-14-6-10-19(26(22)29)16-23(27)25(21)18-8-4-3-5-9-18/h3-5,8-9,12-13,16-17H,6-7,10-11,14-15H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK2 cells assessed as enhancement of Calcein-AM uptake treated 30 mins before Calcein-AM challenge measured a...


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein (P-gp)


(Mus musculus (Mouse))
BDBM50249649
PNG
(CHEMBL490121 | Dimethyl-(8-phenyl-2,3,5,6-tetrahyd...)
Show SMILES C[N+](C)=c1ccc2c(-c3ccccc3)c3cc4CCCN5CCCc(c45)c3[se]c2c1
Show InChI InChI=1S/C27H27N2Se/c1-28(2)20-12-13-21-24(17-20)30-27-22-11-7-15-29-14-6-10-19(26(22)29)16-23(27)25(21)18-8-4-3-5-9-18/h3-5,8-9,12-13,16-17H,6-7,10-11,14-15H2,1-2H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of verapamil-stimulated ATPase activity of mouse cysteine-less MDR3


Citation and Details
More data for this
Ligand-Target Pair