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BDBM50275946 (5R,14S,19S,28R)-10,23-dimethoxy-4,4,29,29-tetramethyl-3,7,26,30-tetraoxaheptacyclo[16.12.0.0^{2,15}.0^{5,14}.0^{8,13}.0^{19,28}.0^{20,25}]triaconta-1(18),2(15),8(13),9,11,20(25),21,23-octaene-16,17-dione::CHEMBL446858

SMILES: COc1ccc2[C@@H]3[C@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21

InChI Key: InChIKey=GHBOEFUAGSHXPO-UWXQAFAOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50275946   
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))		BDBM50275946
PNG
((5R,14S,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...)
Show SMILES COc1ccc2[C@@H]3[C@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21 |r,c:18,25|
Show InChI InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20-,23+,24+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.04E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry

J Med Chem 51: 7132-43 (2009)


Article DOI: 10.1021/jm800403b
BindingDB Entry DOI: 10.7270/Q2TB16R7
More data for this
Ligand-Target Pair