BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'aichele' and Initial = 'd'   
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))
BDBM50305083
PNG
(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50379211
PNG
(CHEMBL2011288)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1
Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-9-10-22-21(13-20)18(15-31-22)11-12-30-28(33)26-14-23(32)27-24(3-2-4-25(27)36-26)35-16-17-5-7-19(29)8-6-17/h2-10,13-15,31H,11-12,16H2,1H3,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029743
PNG
(CHEMBL3353416)
Show SMILES COc1ccccc1CCn1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C24H21NO3/c1-28-20-12-5-2-7-15(20)13-14-25-18-10-6-11-19(26)21(18)22-23(25)16-8-3-4-9-17(16)24(22)27/h2-5,7-9,12H,6,10-11,13-14H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029739
PNG
(CHEMBL3353414)
Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2CCc2ccccc2)C(=O)C1
Show InChI InChI=1S/C24H21NO2/c1-15-13-19-21(20(26)14-15)22-23(17-9-5-6-10-18(17)24(22)27)25(19)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029744
PNG
(CHEMBL3353417)
Show SMILES COc1cccc(CCn2c3CCCC(=O)c3c3C(=O)c4ccccc4-c23)c1
Show InChI InChI=1S/C24H21NO3/c1-28-16-7-4-6-15(14-16)12-13-25-19-10-5-11-20(26)21(19)22-23(25)17-8-2-3-9-18(17)24(22)27/h2-4,6-9,14H,5,10-13H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029725
PNG
(CHEMBL1957192)
Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2CCc1ccccc1
Show InChI InChI=1S/C23H19NO2/c25-19-12-6-11-18-20(19)21-22(16-9-4-5-10-17(16)23(21)26)24(18)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029742
PNG
(CHEMBL3353415)
Show SMILES O=C1c2ccccc2-c2c1c1c(CC(CC1=O)c1ccccc1)n2CCc1ccccc1
Show InChI InChI=1S/C29H23NO2/c31-25-18-21(20-11-5-2-6-12-20)17-24-26(25)27-28(22-13-7-8-14-23(22)29(27)32)30(24)16-15-19-9-3-1-4-10-19/h1-14,21H,15-18H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029900
PNG
(CHEMBL3353422)
Show SMILES CC(C)n1c2CCC(Cc3ccccc3)(Cc3ccccc3)C(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C32H29NO2/c1-21(2)33-26-17-18-32(19-22-11-5-3-6-12-22,20-23-13-7-4-8-14-23)31(35)27(26)28-29(33)24-15-9-10-16-25(24)30(28)34/h3-16,21H,17-20H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029746
PNG
(CHEMBL3353418)
Show SMILES COc1ccc(CCn2c3CCCC(=O)c3c3C(=O)c4ccccc4-c23)cc1
Show InChI InChI=1S/C24H21NO3/c1-28-16-11-9-15(10-12-16)13-14-25-19-7-4-8-20(26)21(19)22-23(25)17-5-2-3-6-18(17)24(22)27/h2-3,5-6,9-12H,4,7-8,13-14H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029730
PNG
(CHEMBL1957193)
Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2CCCc1ccccc1
Show InChI InChI=1S/C24H21NO2/c26-20-14-6-13-19-21(20)22-23(17-11-4-5-12-18(17)24(22)27)25(19)15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029735
PNG
(CHEMBL1957202)
Show SMILES O=C1c2ccccc2-c2c1c1c(CC(CC1=O)c1ccccc1)n2Cc1ccccc1
Show InChI InChI=1S/C28H21NO2/c30-24-16-20(19-11-5-2-6-12-19)15-23-25(24)26-27(21-13-7-8-14-22(21)28(26)31)29(23)17-18-9-3-1-4-10-18/h1-14,20H,15-17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 960n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029841
PNG
(CHEMBL3353420)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3cccc(OCC=C(C)C)c3-c12
Show InChI InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)22-21(23(15)26)20-16(24(22)14(3)4)8-6-9-17(20)25/h5,7,10-11,14H,6,8-9,12H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029749
PNG
(CHEMBL3353419)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3c(cccc3OCC=C(C)C)-c12
Show InChI InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)23(26)21-20-16(8-6-9-17(20)25)24(14(3)4)22(15)21/h5,7,10-11,14H,6,8-9,12H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029731
PNG
(CHEMBL3353413)
Show SMILES CC(C)n1c2CC(C)CC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C19H19NO2/c1-10(2)20-14-8-11(3)9-15(21)16(14)17-18(20)12-6-4-5-7-13(12)19(17)22/h4-7,10-11H,8-9H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029733
PNG
(CHEMBL1957203)
Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2Cc2ccccc2)C(=O)C1
Show InChI InChI=1S/C23H19NO2/c1-14-11-18-20(19(25)12-14)21-22(16-9-5-6-10-17(16)23(21)26)24(18)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029898
PNG
(CHEMBL3353421)
Show SMILES CC(C)n1c2CCC(C)C(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C19H19NO2/c1-10(2)20-14-9-8-11(3)18(21)15(14)16-17(20)12-6-4-5-7-13(12)19(16)22/h4-7,10-11H,8-9H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50029690
PNG
(CHEMBL1957191)
Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2Cc1ccccc1
Show InChI InChI=1S/C22H17NO2/c24-18-12-6-11-17-19(18)20-21(15-9-4-5-10-16(15)22(20)25)23(17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair