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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 = 'BDBM50369550'   
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))		BDBM50369550
PNG
(CHEMBL1790696)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccc(OCC3CCCCC3)cc2)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](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC
Show InChI InChI=1S/C61H100N8O12/c1-18-38(9)47-58(76)66(15)48(36(5)6)53(71)62-44(32-35(3)4)57(75)68(17)51(61(12,13)79)60(78)81-50(39(10)19-2)59(77)67(16)49(37(7)8)54(72)63-45(33-41-27-29-43(30-28-41)80-34-42-24-21-20-22-25-42)56(74)65(14)40(11)55(73)69-31-23-26-46(69)52(70)64-47/h27-30,35-40,42,44-51,79H,18-26,31-34H2,1-17H3,(H,62,71)(H,63,72)(H,64,70)/t38-,39-,40+,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 2.11E+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