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BDBM50369563 CHEMBL1790692

SMILES: CC[C@H](C)[C@@H]1NC(=O)CCCCCCCNC(=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

InChI Key: InChIKey=JHZZQCVXBQGNJC-YUYCYJJGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369563   
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))		BDBM50369563
PNG
(CHEMBL1790692)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)CCCCCCCNC(=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/C44H80N6O9/c1-16-29(9)33-41(55)48(13)35(28(7)8)39(53)46-31(25-26(3)4)40(54)50(15)37(44(11,12)58)43(57)59-36(30(10)17-2)42(56)49(14)34(27(5)6)38(52)45-24-22-20-18-19-21-23-32(51)47-33/h26-31,33-37,58H,16-25H2,1-15H3,(H,45,52)(H,46,53)(H,47,51)/t29-,30-,31-,33-,34-,35-,36+,37+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 7.42E+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