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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 = 'BDBM50221864'   
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))		BDBM50221864
PNG
(CHEMBL438677 | 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]3OC(=O)C(C)(C)C)OC(=O)c1ccccc1 |TLB:29:28:26.16.17:11.12|
Show InChI InChI=1S/C34H42O11/c1-19(35)41-26-23(42-27(36)20-13-10-9-11-14-20)18-32(7,39)34-25(44-29(38)30(2,3)4)21(31(5,6)45-34)17-24(33(26,34)8)43-28(37)22-15-12-16-40-22/h9-16,21,23-26,39H,17-18H2,1-8H3/t21-,23+,24+,25-,26+,32-,33-,34+/m1/s1
PDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.04E+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