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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 = 'BDBM50369555'   
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))		BDBM50369555
PNG
(CHEMBL1790687)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)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)N[C@H](CCC(O)=O)C(=O)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC
Show InChI InChI=1S/C60H89N9O14/c1-15-36(7)45-56(78)66(12)47(35(5)6)53(75)64-50(72)40(29-30-44(70)71)62-59(81)68(14)49(60(9,10)82)58(80)83-48(37(8)16-2)57(79)67(13)46(34(3)4)52(74)61-41(32-38-24-19-17-20-25-38)54(76)65(11)43(33-39-26-21-18-22-27-39)55(77)69-31-23-28-42(69)51(73)63-45/h17-22,24-27,34-37,40-43,45-49,82H,15-16,23,28-33H2,1-14H3,(H,61,74)(H,62,81)(H,63,73)(H,70,71)(H,64,72,75)/t36-,37-,40+,41-,42-,43-,45-,46-,47-,48+,49+/m0/s1
PDB

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>8.96E+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