BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50045217   
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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
81n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated CFTR (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
520n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50050769
PNG
(CHEMBL3318019)
Show SMILES CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1O
Show InChI InChI=1S/C19H17ClO4/c1-10(2)23-16-8-11(3)4-6-13(16)19-18(22)17(21)14-9-12(20)5-7-15(14)24-19/h4-10,22H,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
560n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens)
BDBM50321611
PNG
(7-((6-chloropyridin-3-yl)methoxy)-2-(4-((6-chlorop...)
Show SMILES Clc1ccc(COc2ccc(cc2)-c2cc(=O)c3ccc(OCc4ccc(Cl)nc4)cc3o2)cn1
Show InChI InChI=1S/C27H18Cl2N2O4/c28-26-9-1-17(13-30-26)15-33-20-5-3-19(4-6-20)24-12-23(32)22-8-7-21(11-25(22)35-24)34-16-18-2-10-27(29)31-14-18/h1-14H,15-16H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of telomerase activity (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50050771
PNG
(CHEMBL3318017)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C22H23NO4/c1-25-21-11-17-18(24)12-19(27-20(17)13-22(21)26-2)16-7-5-15(6-8-16)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50050770
PNG
(CHEMBL3318018)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H21NO2/c23-19-14-21(24-20-7-3-2-6-18(19)20)17-10-8-16(9-11-17)15-22-12-4-1-5-13-22/h2-3,6-11,14H,1,4-5,12-13,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50050768
PNG
(CHEMBL3318022)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/t16-,18-,19+,20-,21-/m1/s1
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+5n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50050768
PNG
(CHEMBL3318022)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/t16-,18-,19+,20-,21-/m1/s1
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+6n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase terminal cleavage activity


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Succinate semialdehyde dehydrogenase


(Homo sapiens)
BDBM23411
PNG
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.20E+6n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of SSADH (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens)
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.28E+7n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of GABA transaminase (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Stimulation of CFTR (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair