BindingDB logo
myBDB logout

USPatent US8470888

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Broad substrate specificity ATP-binding cassette transporter ABCG2


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.90E+3n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Inhibition assay using ABCG2 or BCRP1.


US Patent US8470888 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WWT
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.12E+4n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Inhibition assay using ABCG2 or BCRP1.


US Patent US8470888 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WWT
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.64E+4n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Inhibition assay using ABCG2 or BCRP1.


US Patent US8470888 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WWT
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.67E+4n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Inhibition assay using ABCG2 or BCRP1.


US Patent US8470888 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WWT
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.33E+4n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Inhibition assay using ABCG2 or BCRP1.


US Patent US8470888 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WWT
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM97639
PNG
(US8470888, Botryllamide J)
Show SMILES CO\C(=C/c1cccc(O)c1C#N)C(=O)N\C=C\c1ccccc1
Show InChI InChI=1S/C19H16N2O3/c1-24-18(12-15-8-5-9-17(22)16(15)13-20)19(23)21-11-10-14-6-3-2-4-7-14/h2-12,22H,1H3,(H,21,23)/b11-10+,18-12-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.69E+4n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Inhibition assay using ABCG2 or BCRP1.


US Patent US8470888 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WWT
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.30E+4n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Inhibition assay using ABCG2 or BCRP1.


US Patent US8470888 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WWT
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.14E+4n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Inhibition assay using ABCG2 or BCRP1.


US Patent US8470888 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WWT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%