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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50512896'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50512896
PNG
(CHEMBL4434808)
Show SMILES Cc1nc2cc(NC(=O)C3CCCN(C3)c3cc(ncn3)-n3cccn3)ccc2s1
Show InChI InChI=1S/C21H21N7OS/c1-14-25-17-10-16(5-6-18(17)30-14)26-21(29)15-4-2-8-27(12-15)19-11-20(23-13-22-19)28-9-3-7-24-28/h3,5-7,9-11,13,15H,2,4,8,12H2,1H3,(H,26,29)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.27E+4n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCC1 in human H69AR cells preincubated for 30 mins followed by calcein-AM addition measured at 60 secs time interval by fluorescence a...

J Med Chem 62: 4383-4400 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01821
BindingDB Entry DOI: 10.7270/Q2X06BDS
More data for this
Ligand-Target Pair