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SMILES: CN(C)c1ccc2c(-c3ccccc3)c3ccc(cc3sc2c1)=[N+](C)C

InChI Key: InChIKey=XCNNTOFZVRCYDB-UHFFFAOYSA-N

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 = 50246355   
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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50246355
PNG
(CHEMBL510624 | N-(6-(dimethylamino)-9-phenyl-3H-th...)
Show SMILES CN(C)c1ccc2c(-c3ccccc3)c3ccc(cc3sc2c1)=[N+](C)C |(-9.22,-1.33,;-7.89,-2.1,;-7.89,-3.64,;-6.56,-1.33,;-6.55,.21,;-5.23,.98,;-3.9,.22,;-2.56,.99,;-2.56,2.53,;-1.23,3.29,;-1.22,4.83,;-2.56,5.6,;-3.89,4.82,;-3.89,3.29,;-1.21,.21,;.13,1,;1.48,.22,;1.48,-1.34,;.13,-2.11,;-1.21,-1.34,;-2.56,-2.11,;-3.9,-1.34,;-5.22,-2.1,;2.81,-2.11,;2.81,-3.64,;4.14,-1.34,)|
Show InChI InChI=1S/C23H23N2S/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1
PDB

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/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...

J Med Chem 52: 3328-41 (2009)


Article DOI: 10.1021/jm900253g
BindingDB Entry DOI: 10.7270/Q29Z94SF
More data for this
Ligand-Target Pair