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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 = 'BDBM50369560'   
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))		BDBM50369560
PNG
(CHEMBL1790675)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(C)(C)O)[C@@H](C)CC
Show InChI InChI=1S/C53H86N8O11/c1-17-32(9)40-46(64)56-39(30(5)6)45(63)54-36(27-29(3)4)50(68)60(16)43(53(12,13)71)52(70)72-42(33(10)18-2)51(69)59(15)41(31(7)8)47(65)55-37(28-35-23-20-19-21-24-35)49(67)58(14)34(11)48(66)61-26-22-25-38(61)44(62)57-40/h19-21,23-24,29-34,36-43,71H,17-18,22,25-28H2,1-16H3,(H,54,63)(H,55,65)(H,56,64)(H,57,62)/t32-,33-,34+,36-,37-,38-,39-,40-,41-,42+,43+/m0/s1
PDB

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 4.79E+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