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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'pauli-magnus' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50121977
PNG
(2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-pheny...)
Show SMILES COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3
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MCE
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PubMed
n/an/a 300n/an/an/an/an/an/a



Dr. Margarete Fischer-Bosch-Institute of Clinical Pharmacology

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells


J Pharmacol Exp Ther 293: 376-82 (2000)


BindingDB Entry DOI: 10.7270/Q2RB75VT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50420214
PNG
(CHEMBL2074918)
Show SMILES COc1ccc(cc1O)[C@](CCCN(C)CCc1ccc(OC)c(OC)c1)(C#N)C(C)C
Show InChI InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)22(29)17-21)13-7-14-28(3)15-12-20-8-10-24(31-5)25(16-20)32-6/h8-11,16-17,19,29H,7,12-15H2,1-6H3/t26-/m1/s1
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Dr. Margarete Fischer-Bosch-Institute of Clinical Pharmacology

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells


J Pharmacol Exp Ther 293: 376-82 (2000)


BindingDB Entry DOI: 10.7270/Q2RB75VT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Institute of Clinical Pharmacology

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells


Naunyn Schmiedebergs Arch Pharmacol 364: 551-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MK6F4H
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50241342
PNG
(5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...)
Show SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
Show InChI InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
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n/an/a 1.79E+4n/an/an/an/an/an/a



Institute of Clinical Pharmacology

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells


Naunyn Schmiedebergs Arch Pharmacol 364: 551-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MK6F4H
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM47032
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
PDB

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PubMed
n/an/a 6.28E+4n/an/an/an/an/an/a



Institute of Clinical Pharmacology

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells


Naunyn Schmiedebergs Arch Pharmacol 364: 551-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MK6F4H
More data for this
Ligand-Target Pair