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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 = 'BDBM50221860'   
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))		BDBM50221860
PNG
(CHEMBL233280 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3O)OC(=O)c1ccccc1 |TLB:29:28:26.16.17:11.12|
Show InChI InChI=1S/C29H34O10/c1-16(30)36-23-20(37-24(32)17-10-7-6-8-11-17)15-27(4,34)29-22(31)18(26(2,3)39-29)14-21(28(23,29)5)38-25(33)19-12-9-13-35-19/h6-13,18,20-23,31,34H,14-15H2,1-5H3/t18-,20+,21+,22-,23+,27-,28-,29+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.50E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay

J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair