BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 321.3
BDBM75523
Purchase
Wt: 307.3
BDBM80521
Purchase
Wt: 400.5
BDBM50437262
Wt: 386.4
BDBM50437263
Wt: 386.4
BDBM50437264
Wt: 386.4
BDBM50437265
Wt: 399.5
BDBM50437266
Wt: 385.5
BDBM50437267
Purchase
Wt: 371.4
BDBM50437268
Purchase
Wt: 315.3
BDBM50437269
Purchase
Wt: 350.7
BDBM50437270
Purchase
Wt: 347.2
BDBM50437271
Purchase
Wt: 374.2
BDBM50437272
Purchase
Wt: 401.5
BDBM50437273
Purchase
Wt: 339.4
BDBM50437274
Purchase
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 19 hits in this display   
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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80521
PNG
(3-Hydroxy-2-naphtho-p-phenetidide | 3-hydroxy-N-p-...)
Show SMILES CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
Show InChI InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 1.29E+4n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM80521
PNG
(3-Hydroxy-2-naphtho-p-phenetidide | 3-hydroxy-N-p-...)
Show SMILES CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
Show InChI InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 4.75E+4n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437265
PNG
(CHEMBL2407256)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C24H26N4O/c1-2-27-15-17-28(18-16-27)22-12-10-21(11-13-22)26-24(29)20-8-6-19(7-9-20)23-5-3-4-14-25-23/h3-14H,2,15-18H2,1H3,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 365n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437266
PNG
(CHEMBL2407271)
Show SMILES CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O/c1-20(2)28-16-18-29(19-17-28)25-14-12-24(13-15-25)27-26(30)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 22n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437267
PNG
(CHEMBL2407270)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H27N3O/c1-2-27-16-18-28(19-17-27)24-14-12-23(13-15-24)26-25(29)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15H,2,16-19H2,1H3,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 221n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437268
PNG
(CHEMBL2407269)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O/c1-26-15-17-27(18-16-26)23-13-11-22(12-14-23)25-24(28)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437269
PNG
(CHEMBL2407268)
Show SMILES CC(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H17NO2/c1-15(23)16-11-13-20(14-12-16)22-21(24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 861n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM75523
PNG
(3-Methoxy-naphthalene-2-carboxylic acid (4-ethoxy-...)
Show SMILES CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
Show InChI InChI=1S/C20H19NO3/c1-3-24-17-10-8-16(9-11-17)21-20(22)18-12-14-6-4-5-7-15(14)13-19(18)23-2/h4-13H,3H2,1-2H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 512n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM80521
PNG
(3-Hydroxy-2-naphtho-p-phenetidide | 3-hydroxy-N-p-...)
Show SMILES CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
Show InChI InChI=1S/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 212n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437270
PNG
(CHEMBL2407267)
Show SMILES Clc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1
Show InChI InChI=1S/C20H15ClN2O2/c21-16-7-4-8-18(13-16)23-20(25)15-9-11-17(12-10-15)22-19(24)14-5-2-1-3-6-14/h1-13H,(H,22,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 424n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437271
PNG
(CHEMBL2407266)
Show SMILES CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C17H19BrN2O/c1-3-20(4-2)16-11-9-15(10-12-16)19-17(21)13-5-7-14(18)8-6-13/h5-12H,3-4H2,1-2H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.66E+3n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437272
PNG
(CHEMBL2407265)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cccc(Br)c2)cc1
Show InChI InChI=1S/C18H20BrN3O/c1-21-9-11-22(12-10-21)17-7-5-16(6-8-17)20-18(23)14-3-2-4-15(19)13-14/h2-8,13H,9-12H2,1H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437273
PNG
(CHEMBL1332508)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H27N3O2/c1-30-24-9-5-8-21(18-24)25(29)26-22-10-12-23(13-11-22)28-16-14-27(15-17-28)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437274
PNG
(CHEMBL2407264)
Show SMILES CCOc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-16(15-19)20(24)21-17-7-9-18(10-8-17)23-13-11-22(2)12-14-23/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM75523
PNG
(3-Methoxy-naphthalene-2-carboxylic acid (4-ethoxy-...)
Show SMILES CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
Show InChI InChI=1S/C20H19NO3/c1-3-24-17-10-8-16(9-11-17)21-20(22)18-12-14-6-4-5-7-15(14)13-19(18)23-2/h4-13H,3H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>1.16E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q23XQJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75523
PNG
(3-Methoxy-naphthalene-2-carboxylic acid (4-ethoxy-...)
Show SMILES CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
Show InChI InChI=1S/C20H19NO3/c1-3-24-17-10-8-16(9-11-17)21-20(22)18-12-14-6-4-5-7-15(14)13-19(18)23-2/h4-13H,3H2,1-2H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2.17E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437264
PNG
(CHEMBL2407257)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2cccnc2)cc1
Show InChI InChI=1S/C24H26N4O/c1-2-27-14-16-28(17-15-27)23-11-9-22(10-12-23)26-24(29)20-7-5-19(6-8-20)21-4-3-13-25-18-21/h3-13,18H,2,14-17H2,1H3,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 243n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437262
PNG
(CHEMBL2407259)
Show SMILES CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C25H28N4O/c1-19(2)28-15-17-29(18-16-28)23-12-10-22(11-13-23)27-25(30)21-8-6-20(7-9-21)24-5-3-4-14-26-24/h3-14,19H,15-18H2,1-2H3,(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 165n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair
Major prion protein


(Ovis aries)
BDBM50437263
PNG
(CHEMBL2407258)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccncc2)cc1
Show InChI InChI=1S/C24H26N4O/c1-2-27-15-17-28(18-16-27)23-9-7-22(8-10-23)26-24(29)21-5-3-19(4-6-21)20-11-13-25-14-12-20/h3-14H,2,15-18H2,1H3,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 743n/an/an/an/a


TBA

Assay Description
Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA


Citation and Details

Article DOI: 10.1021/ml300454k
BindingDB Entry DOI: 10.7270/Q26D5VCS
More data for this
Ligand-Target Pair