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BDBM50324377 4-(5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)isoxazol-3-yl)benzoic acid::4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-isoxazol-3-yl]-benzoic acid::CHEMBL308033

SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(no1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=WBCIOPIRIDDQSE-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50324377   
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))
BDBM50324377
PNG
(4-(5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H25NO3/c1-23(2)11-12-24(3,4)19-13-17(9-10-18(19)23)21-14-20(25-28-21)15-5-7-16(8-6-15)22(26)27/h5-10,13-14H,11-12H2,1-4H3,(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



Universita degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay


J Med Chem 53: 5467-75 (2010)


Article DOI: 10.1021/jm100066y
BindingDB Entry DOI: 10.7270/Q2JH3MC8
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50324377
PNG
(4-(5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H25NO3/c1-23(2)11-12-24(3,4)19-13-17(9-10-18(19)23)21-14-20(25-28-21)15-5-7-16(8-6-15)22(26)27/h5-10,13-14H,11-12H2,1-4H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.80E+3n/an/an/an/a



Universita degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay


J Med Chem 53: 5467-75 (2010)


Article DOI: 10.1021/jm100066y
BindingDB Entry DOI: 10.7270/Q2JH3MC8
More data for this
Ligand-Target Pair