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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'fattorusso' and Initial = 'e'   
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-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50370874
PNG
(CHEMBL221371)
Show SMILES COC1Oc2c(O)cccc2-c2c1oc1cc(OC)cc(O)c1c2=O
Show InChI InChI=1S/C18H14O7/c1-22-8-6-11(20)14-12(7-8)24-17-13(15(14)21)9-4-3-5-10(19)16(9)25-18(17)23-2/h3-7,18-20H,1-2H3
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n/an/a 700n/an/an/an/an/an/a



UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in human HEK293 cells assessed as maximal mitoxantrone accumulation


J Med Chem 50: 1933-8 (2007)


Article DOI: 10.1021/jm061450q
BindingDB Entry DOI: 10.7270/Q21V5FRP
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50370873
PNG
(CHEMBL222265)
Show SMILES COC1Oc2c(O)cccc2-c2c1oc1cc(OC)c(C)c(O)c1c2=O
Show InChI InChI=1S/C19H16O7/c1-8-11(23-2)7-12-14(15(8)21)16(22)13-9-5-4-6-10(20)17(9)26-19(24-3)18(13)25-12/h4-7,19-21H,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in human HEK293 cells assessed as maximal mitoxantrone accumulation


J Med Chem 50: 1933-8 (2007)


Article DOI: 10.1021/jm061450q
BindingDB Entry DOI: 10.7270/Q21V5FRP
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50192696
PNG
(1-(4-(pyrrolidin-1-ylmethyl)benzylidene)-2-(7-chlo...)
Show SMILES Clc1ccc2c(ccnc2c1)N=NCc1ccc(CN2CCCC2)cc1 |w:11.12|
Show InChI InChI=1S/C21H21ClN4/c22-18-7-8-19-20(9-10-23-21(19)13-18)25-24-14-16-3-5-17(6-4-16)15-26-11-1-2-12-26/h3-10,13H,1-2,11-12,14-15H2
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n/an/a 5.30E+8n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation by BHIA assay


Bioorg Med Chem Lett 16: 5384-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.060
BindingDB Entry DOI: 10.7270/Q2NP25NR
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50041457
PNG
(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Show InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
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n/an/a 7.90E+8n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation by BHIA assay


Bioorg Med Chem Lett 16: 5384-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.060
BindingDB Entry DOI: 10.7270/Q2NP25NR
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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KEGG
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n/an/a 9.10E+8n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation by BHIA assay


Bioorg Med Chem Lett 16: 5384-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.060
BindingDB Entry DOI: 10.7270/Q2NP25NR
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/a 1.69E+9n/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation


J Med Chem 50: 595-8 (2007)


Article DOI: 10.1021/jm061429p
BindingDB Entry DOI: 10.7270/Q2RF5W85
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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KEGG
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PC cid
PC sid
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n/an/a 2.50E+9n/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation


J Med Chem 50: 595-8 (2007)


Article DOI: 10.1021/jm061429p
BindingDB Entry DOI: 10.7270/Q2RF5W85
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50203749
PNG
((+/-)-1-((4-chlorophenyl)(phenyl)(4-(pyrrolidin-1-...)
Show SMILES Clc1ccc(cc1)C(c1ccccc1)(c1ccc(CN2CCCC2)cc1)n1ccnc1
Show InChI InChI=1S/C27H26ClN3/c28-26-14-12-25(13-15-26)27(31-19-16-29-21-31,23-6-2-1-3-7-23)24-10-8-22(9-11-24)20-30-17-4-5-18-30/h1-3,6-16,19,21H,4-5,17-18,20H2
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n/an/a 2.53E+9n/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Inhibition of beta-hematin formation


J Med Chem 50: 595-8 (2007)


Article DOI: 10.1021/jm061429p
BindingDB Entry DOI: 10.7270/Q2RF5W85
More data for this
Ligand-Target Pair