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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 = 'BDBM50369547'   
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))		BDBM50369547
PNG
(CHEMBL1790679)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(O)c2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)[C@@H](C)CC
Show InChI InChI=1S/C60H92N8O11/c1-17-38(11)45-57(75)64(13)46(35(5)6)53(71)61-42(32-34(3)4)55(73)66(15)48(37(9)10)60(78)79-51(39(12)18-2)59(77)65(14)47(36(7)8)54(72)62-43(33-40-26-21-19-22-27-40)56(74)67(16)49(50(69)41-28-23-20-24-29-41)58(76)68-31-25-30-44(68)52(70)63-45/h19-24,26-29,34-39,42-51,69H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,42-,43-,44-,45-,46-,47-,48?,49-,50?,51+/m0/s1
PDB

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



Strasbourg 1 University

Curated by ChEMBL


Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells.

J Med Chem 43: 2547-56 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1SFC
More data for this
Ligand-Target Pair