BindingDB logo
myBDB logout

BDBM50369545 CHEMBL1790686

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(C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)CC

InChI Key: InChIKey=QNUNLUGOYVFWOP-XFQJAOPJSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369545   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P-glycoprotein 1


(Homo sapiens (Human))		BDBM50369545
PNG
(CHEMBL1790686)
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(C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)CC
Show InChI InChI=1S/C59H90N8O10/c1-16-38(11)47-53(70)62-46(35(5)6)52(69)60-42(31-34(3)4)56(73)66(15)49(37(9)10)59(76)77-50(39(12)17-2)58(75)65(14)48(36(7)8)54(71)61-43(32-40-25-20-18-21-26-40)55(72)64(13)45(33-41-27-22-19-23-28-41)57(74)67-30-24-29-44(67)51(68)63-47/h18-23,25-28,34-39,42-50H,16-17,24,29-33H2,1-15H3,(H,60,69)(H,61,71)(H,62,70)(H,63,68)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49?,50+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 2.68E+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