BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 805 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family G member 2'   
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))
BDBM32617
PNG
(Botryllamide A, 1 | US8470888, Botryllamide A)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(OC)c(Br)c1
Show InChI InChI=1S/C19H17Br2NO4/c1-25-17(11-12-3-5-14(23)6-4-12)19(24)22-8-7-13-9-15(20)18(26-2)16(21)10-13/h3-11,23H,1-2H3,(H,22,24)/b8-7+,17-11-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.34E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32619
PNG
(Botryllamide B, 2)
Show SMILES CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(OC)c(Br)c1
Show InChI InChI=1S/C19H17Br2NO4/c1-25-17(11-12-3-5-14(23)6-4-12)19(24)22-8-7-13-9-15(20)18(26-2)16(21)10-13/h3-11,23H,1-2H3,(H,22,24)/b8-7+,17-11+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32638
PNG
(Dihydroergocristine | NSC409663)
Show SMILES CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.18E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32620
PNG
(Botryllamide C, 3 | US8470888, Botryllamide D)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)c(Br)c1
Show InChI InChI=1S/C19H18BrNO4/c1-24-17-8-5-14(11-16(17)20)9-10-21-19(23)18(25-2)12-13-3-6-15(22)7-4-13/h3-12,22H,1-2H3,(H,21,23)/b10-9+,18-12-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32621
PNG
(Botryllamide D, 4)
Show SMILES CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)c(Br)c1
Show InChI InChI=1S/C19H18BrNO4/c1-24-17-8-5-14(11-16(17)20)9-10-21-19(23)18(25-2)12-13-3-6-15(22)7-4-13/h3-12,22H,1-2H3,(H,21,23)/b10-9+,18-12+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.64E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32622
PNG
(Botryllamide E, 5 | US8470888, Botryllamide I)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C19H19NO4/c1-23-17-9-5-14(6-10-17)11-12-20-19(22)18(24-2)13-15-3-7-16(21)8-4-15/h3-13,21H,1-2H3,(H,20,22)/b12-11+,18-13-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.33E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32623
PNG
(Botryllamide F, 6 | US8470888, Botryllamide F)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H17NO4/c1-23-17(12-14-4-8-16(21)9-5-14)18(22)19-11-10-13-2-6-15(20)7-3-13/h2-12,20-21H,1H3,(H,19,22)/b11-10+,17-12-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.67E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32624
PNG
(Botryllamide G, 7 | US8470888, Botryllamide G)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C18H15Br2NO4/c1-25-16(10-11-2-4-13(22)5-3-11)18(24)21-7-6-12-8-14(19)17(23)15(20)9-12/h2-10,22-23H,1H3,(H,21,24)/b7-6+,16-10-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.90E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32625
PNG
(Botryllamide H, 8 | Botryllamide J, 10)
Show SMILES Oc1ccc(C=CNC(=O)C(=O)Cc2cccc(O)c2C#N)cc1
Show InChI InChI=1S/C18H14N2O4/c19-11-15-13(2-1-3-16(15)22)10-17(23)18(24)20-9-8-12-4-6-14(21)7-5-12/h1-9,21-22H,10H2,(H,20,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32626
PNG
(Botryllamide I, 9)
Show SMILES CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C19H19NO4/c1-23-17-9-5-14(6-10-17)11-12-20-19(22)18(24-2)13-15-3-7-16(21)8-4-15/h3-13,21H,1-2H3,(H,20,22)/b12-11+,18-13+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.14E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32625
PNG
(Botryllamide H, 8 | Botryllamide J, 10)
Show SMILES Oc1ccc(C=CNC(=O)C(=O)Cc2cccc(O)c2C#N)cc1
Show InChI InChI=1S/C18H14N2O4/c19-11-15-13(2-1-3-16(15)22)10-17(23)18(24)20-9-8-12-4-6-14(21)7-5-12/h1-9,21-22H,10H2,(H,20,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32628
PNG
(FTC | Fumitremorgin C)
Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](C=C(C)C)c3[nH]c2c1)C(=O)[C@@H]1CCCN1C4=O
Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 790n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32629
PNG
(NSC11668 | cid_223753)
Show SMILES Cn1ncc2c(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C18H14Cl2N6/c1-26-17-15(10-21-26)16(22-13-6-2-4-11(19)8-13)24-18(25-17)23-14-7-3-5-12(20)9-14/h2-10H,1H3,(H2,22,23,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32630
PNG
(NSC19139)
Show SMILES Cn1ncc2c(NCCc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C14H14ClN5/c1-20-13-11(9-17-20)12(18-14(15)19-13)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,18,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.60E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32631
PNG
(Digitonin | NSC23471)
Show SMILES CC1C2C(OC11CCC(C)CO1)C(O)C1C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC4(C)C3CCC21C
Show InChI InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32632
PNG
(NSC120688)
Show SMILES OC(=O)c1ccc(\C=N\N=C2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C21H14N2O2/c24-21(25)15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H,24,25)/b22-13+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.30E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32633
PNG
(NSC168201)
Show SMILES COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC
Show InChI InChI=1S/C22H22NO4/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23/h6-12H,1-5H3/q+1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32634
PNG
(NSC303769)
Show SMILES Cc1[nH]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc2ccccc2c1
Show InChI InChI=1S/C20H15N5O2/c1-13-18(20(27)25(24-13)19(26)15-8-10-21-11-9-15)23-22-17-7-6-14-4-2-3-5-16(14)12-17/h2-12,24H,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.80E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32635
PNG
(NSC306698)
Show SMILES Cc1ccc(NC(=[OH+])c2cc3ccccc3cc2O)c(C)c1
Show InChI InChI=1S/C19H17NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)/p+1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32636
PNG
(NSC320852)
Show SMILES NN=C1C(OC(=O)Nc2cccc(Cl)c2)=Nc2ccccc12
Show InChI InChI=1S/C15H11ClN4O2/c16-9-4-3-5-10(8-9)18-15(21)22-14-13(20-17)11-6-1-2-7-12(11)19-14/h1-8H,17H2,(H,18,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32637
PNG
(NSC375985)
Show SMILES Cc1cc(=O)[nH]c2cc3oc4ccccc4c3cc12
Show InChI InChI=1S/C16H11NO2/c1-9-6-16(18)17-13-8-15-12(7-11(9)13)10-4-2-3-5-14(10)19-15/h2-8H,1H3,(H,17,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells


Biochem Biophys Res Commun 285: 111-7 (2001)


Article DOI: 10.1006/bbrc.2001.5130
BindingDB Entry DOI: 10.7270/Q2W37XK5
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32628
PNG
(FTC | Fumitremorgin C)
Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](C=C(C)C)c3[nH]c2c1)C(=O)[C@@H]1CCCN1C4=O
Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells


Biochem Biophys Res Commun 285: 111-7 (2001)


Article DOI: 10.1006/bbrc.2001.5130
BindingDB Entry DOI: 10.7270/Q2W37XK5
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.51E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay


Bioorg Med Chem Lett 20: 180-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.004
BindingDB Entry DOI: 10.7270/Q2G73DT7
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.25E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay


Bioorg Med Chem 16: 8224-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.034
BindingDB Entry DOI: 10.7270/Q2765GK5
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.61E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay


Bioorg Med Chem 16: 8224-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.034
BindingDB Entry DOI: 10.7270/Q2765GK5
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47373
PNG
(2-methoxy-N-(2-morpholinophenyl)-5-(phthalimidomet...)
Show SMILES COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C27H25N3O5/c1-34-24-11-10-18(17-30-26(32)19-6-2-3-7-20(19)27(30)33)16-21(24)25(31)28-22-8-4-5-9-23(22)29-12-14-35-15-13-29/h2-11,16H,12-15,17H2,1H3,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 340n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47374
PNG
(2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-n...)
Show SMILES CCCCN(C)C1=CC2=CC(CCC2CC1)=C(C#N)C#N
Show InChI InChI=1S/C18H23N3/c1-3-4-9-21(2)18-8-7-14-5-6-15(10-16(14)11-18)17(12-19)13-20/h10-11,14H,3-9H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 4.42E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47375
PNG
(N-[(E)-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methy...)
Show SMILES COc1cc(ccc1O)C(=O)N\N=C\c1ccc(OC)c(CN2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H29FN4O4/c1-35-25-10-3-19(17-29-30-27(34)20-4-9-24(33)26(16-20)36-2)15-21(25)18-31-11-13-32(14-12-31)23-7-5-22(28)6-8-23/h3-10,15-17,33H,11-14,18H2,1-2H3,(H,30,34)/b29-17+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 760n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47376
PNG
(4-[1-[benzyl-[2-(2-thienyl)acetyl]amino]-2-(cycloh...)
Show SMILES COC(=O)c1ccc(cc1)C(N(Cc1ccccc1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H32N2O4S/c1-35-29(34)23-16-14-22(15-17-23)27(28(33)30-24-11-6-3-7-12-24)31(20-21-9-4-2-5-10-21)26(32)19-25-13-8-18-36-25/h2,4-5,8-10,13-18,24,27H,3,6-7,11-12,19-20H2,1H3,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 4.60E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47377
PNG
((4E)-4-(dimethylaminomethylene)-5-methyl-2-(4-nitr...)
Show SMILES Cc1[n-]n(-c2ccc(cc2)[N+]([O-])=O)c(=O)c1C=[N+](C)C
Show InChI InChI=1S/C13H14N4O3/c1-9-12(8-15(2)3)13(18)16(14-9)10-4-6-11(7-5-10)17(19)20/h4-8H,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 4.00E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47378
PNG
(3-(5-bromanylfuran-2-yl)-5-(2-nitrophenyl)-1,2,4-o...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc(no1)-c1ccc(Br)o1
Show InChI InChI=1S/C12H6BrN3O4/c13-10-6-5-9(19-10)11-14-12(20-15-11)7-3-1-2-4-8(7)16(17)18/h1-6H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 4.88E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47379
PNG
(N-[5-(dimethylamino)-2-[4-morpholinyl-[3-(trifluor...)
Show SMILES CN(C)c1ccc(c(NC(=O)c2cccs2)c1)P(=O)(Nc1cccc(c1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C24H26F3N4O3PS/c1-30(2)19-8-9-21(20(16-19)28-23(32)22-7-4-14-36-22)35(33,31-10-12-34-13-11-31)29-18-6-3-5-17(15-18)24(25,26)27/h3-9,14-16H,10-13H2,1-2H3,(H,28,32)(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 1.21E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM33771
PNG
((6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzene...)
Show SMILES CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O
Show InChI InChI=1S/C20H22N2O8S/c1-13(2)18(21-31(26,27)17-6-4-3-5-7-17)20(23)29-11-15-9-16(22(24)25)8-14-10-28-12-30-19(14)15/h3-9,13,18,21H,10-12H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.57E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47380
PNG
(2-[4-(4-cyanophenyl)phenoxy]-N-(2-phenylethyl)acet...)
Show SMILES O=C(COc1ccc(cc1)-c1ccc(cc1)C#N)NCCc1ccccc1
Show InChI InChI=1S/C23H20N2O2/c24-16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)27-17-23(26)25-15-14-18-4-2-1-3-5-18/h1-13H,14-15,17H2,(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 3.76E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47381
PNG
(2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phe...)
Show SMILES CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc2CN(Cc3ccccc3)CCc12
Show InChI InChI=1S/C23H24N4O3S2/c1-2-30-22(29)20-17-9-12-27(13-16-7-4-3-5-8-16)14-18(17)32-21(20)26-19(28)15-31-23-24-10-6-11-25-23/h3-8,10-11H,2,9,12-15H2,1H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.88E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47382
PNG
(3,4,5-trimethoxy-N-[4-(propan-2-ylsulfamoyl)phenyl...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)C
Show InChI InChI=1S/C19H24N2O6S/c1-12(2)21-28(23,24)15-8-6-14(7-9-15)20-19(22)13-10-16(25-3)18(27-5)17(11-13)26-4/h6-12,21H,1-5H3,(H,20,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.32E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47383
PNG
(N-[2-[diethylamino-[3-(trifluoromethyl)anilino]pho...)
Show SMILES CCN(CC)P(=O)(Nc1cccc(c1)C(F)(F)F)c1ccc(cc1NC(=O)c1ccco1)N(C)C
Show InChI InChI=1S/C24H28F3N4O3P/c1-5-31(6-2)35(33,29-18-10-7-9-17(15-18)24(25,26)27)22-13-12-19(30(3)4)16-20(22)28-23(32)21-11-8-14-34-21/h7-16H,5-6H2,1-4H3,(H,28,32)(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 2.29E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47384
PNG
((6E)-6-[4-(3,5-dimethyl-1-piperidinyl)-1H-quinazol...)
Show SMILES COc1cccc(c1O)-c1nc(N2CC(C)CC(C)C2)c2ccccc2n1
Show InChI InChI=1S/C22H25N3O2/c1-14-11-15(2)13-25(12-14)22-16-7-4-5-9-18(16)23-21(24-22)17-8-6-10-19(27-3)20(17)26/h4-10,14-15,26H,11-13H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.04E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47385
PNG
(N-(4-fluorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl...)
Show SMILES Cc1c(CCc2ccncc2)n2ccccc2c1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C23H20FN3O/c1-16-20(10-5-17-11-13-25-14-12-17)27-15-3-2-4-21(27)22(16)23(28)26-19-8-6-18(24)7-9-19/h2-4,6-9,11-15H,5,10H2,1H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 6.84E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47386
PNG
((4-cyanophenyl)methyl 3-nitro-4-pyrrolidin-1-yl-be...)
Show SMILES [O-][N+](=O)c1cc(ccc1N1CCCC1)C(=O)OCc1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N3O4/c20-12-14-3-5-15(6-4-14)13-26-19(23)16-7-8-17(18(11-16)22(24)25)21-9-1-2-10-21/h3-8,11H,1-2,9-10,13H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 450n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47387
PNG
(2-fluoranyl-N-[(E)-[3-[[4-(4-fluorophenyl)piperazi...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccccc2F)cc1CN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N4O2/c1-34-25-11-6-19(17-29-30-26(33)23-4-2-3-5-24(23)28)16-20(25)18-31-12-14-32(15-13-31)22-9-7-21(27)8-10-22/h2-11,16-17H,12-15,18H2,1H3,(H,30,33)/b29-17+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 4.07E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47388
PNG
(3-chloranyl-N-[2-chloranyl-5-(trifluoromethyl)phen...)
Show SMILES Cc1cc(C)n(n1)-c1ccc(Cl)c(n1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H13Cl2F3N4O/c1-9-7-10(2)27(26-9)15-6-5-13(20)16(25-15)17(28)24-14-8-11(18(21,22)23)3-4-12(14)19/h3-8H,1-2H3,(H,24,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 240n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47389
PNG
((E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-1...)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C\C(=O)N1CCN(CC1)c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C28H27N5O2/c1-35-25-13-10-22(11-14-25)28-23(21-33(30-28)24-7-3-2-4-8-24)12-15-27(34)32-19-17-31(18-20-32)26-9-5-6-16-29-26/h2-16,21H,17-20H2,1H3/b15-12+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 410n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47390
PNG
(3-keto-2-(2-methoxyethyl)-N-p-phenetyl-isoindoline...)
Show SMILES CCOc1ccc(NC(=O)c2cccc3CN(CCOC)C(=O)c23)cc1
Show InChI InChI=1S/C20H22N2O4/c1-3-26-16-9-7-15(8-10-16)21-19(23)17-6-4-5-14-13-22(11-12-25-2)20(24)18(14)17/h4-10H,3,11-13H2,1-2H3,(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47391
PNG
(3-(quinoxaline-2-carbonylamino)benzoic acid ethyl ...)
Show SMILES CCOC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1
Show InChI InChI=1S/C18H15N3O3/c1-2-24-18(23)12-6-5-7-13(10-12)20-17(22)16-11-19-14-8-3-4-9-15(14)21-16/h3-11H,2H2,1H3,(H,20,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 1.18E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47392
PNG
(4-(dimethylamino)benzoic acid [2-(2-ethoxyanilino)...)
Show SMILES CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(cc1)N(C)C)c1ccccc1
Show InChI InChI=1S/C25H26N2O4/c1-4-30-22-13-9-8-12-21(22)26-24(28)23(18-10-6-5-7-11-18)31-25(29)19-14-16-20(17-15-19)27(2)3/h5-17,23H,4H2,1-3H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2.75E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47393
PNG
(2-[[4-chloranyl-6-[(4-nitrophenyl)amino]-1,3,5-tri...)
Show SMILES OCCNc1nc(Cl)nc(Nc2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C11H11ClN6O3/c12-9-15-10(13-5-6-19)17-11(16-9)14-7-1-3-8(4-2-7)18(20)21/h1-4,19H,5-6H2,(H2,13,14,15,16,17)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 4.63E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47394
PNG
(2-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]-4,6...)
Show SMILES Cc1cc(C)c(C#N)c(SCc2c(F)cccc2[N+]([O-])=O)n1
Show InChI InChI=1S/C15H12FN3O2S/c1-9-6-10(2)18-15(11(9)7-17)22-8-12-13(16)4-3-5-14(12)19(20)21/h3-6H,8H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 3.82E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM47395
PNG
(1-keto-7,8-dimethoxy-isothiochromene-3-carboxylic ...)
Show SMILES COc1ccc2cc(sc(=O)c2c1OC)C(=O)OC(C)C
Show InChI InChI=1S/C15H16O5S/c1-8(2)20-14(16)11-7-9-5-6-10(18-3)13(19-4)12(9)15(17)21-11/h5-8H,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2.44E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 805 total )  |  Next  |  Last  >>
Jump to: