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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 = 'BDBM50221877'   
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))		BDBM50221877
PNG
(CHEMBL397135 | nicotinic acid (1R,2R,3S,4S,5R,6R,7...)
Show SMILES CC(=O)O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)\C=C\c1ccccc1)C(C)(C)O3
Show InChI InChI=1S/C39H41NO10/c1-24(41)46-31-32(48-30(42)19-18-25-13-8-6-9-14-25)37(4)29(47-34(43)26-15-10-7-11-16-26)21-28-22-39(37,50-36(28,2)3)38(5,45)33(31)49-35(44)27-17-12-20-40-23-27/h6-20,23,28-29,31-33,45H,21-22H2,1-5H3/b19-18+/t28?,29-,31-,32-,33-,37+,38+,39+/m0/s1
PDB

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PC cid
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Similars
Article
PubMed
 2.07E+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