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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50344752'   
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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50344752
PNG
(CHEMBL1777831 | methyl 4-(4-(2-(6-methoxy-7-(2-(2-...)
Show SMILES COCCOCCOCCOc1cc2CN(CCc3ccc(NC(=O)c4ccc(C(=O)OC)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)CCc2cc1OC
Show InChI InChI=1S/C44H48N4O9/c1-52-19-20-55-21-22-56-23-24-57-41-28-35-29-48(18-15-31(35)27-40(41)53-2)17-14-30-6-10-36(11-7-30)46-42(49)34-8-12-37(44(51)54-3)39(26-34)47-43(50)33-9-13-38-32(25-33)5-4-16-45-38/h4-13,16,25-28H,14-15,17-24,29H2,1-3H3,(H,46,49)(H,47,50)
PDB

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional de Colombia

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 expressed in Kb-V1 cells after 10 mins by calcein-AM assay

Bioorg Med Chem Lett 21: 3654-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.094
BindingDB Entry DOI: 10.7270/Q22J6C5T
More data for this
Ligand-Target Pair