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BDBM50485592 CHEMBL350445

SMILES: [H][C@](O)(COc1cccc2ncccc12)CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=KLWUUPVJTLHYIM-RUZDIDTESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485592   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))		BDBM50485592
PNG
(CHEMBL350445)
Show SMILES [H][C@](O)(COc1cccc2ncccc12)CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2/t25-/m1/s1
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
 400n/an/an/an/an/an/an/an/a



Nihon Schering K.K.

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells

Cancer Chemother Pharmacol 49: 322-8 (2002)


Article DOI: 10.1007/s00280-001-0419-x
BindingDB Entry DOI: 10.7270/Q2FJ2KM1
More data for this
Ligand-Target Pair