BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 194.2
BDBM34933
Purchase
Wt: 150.1
BDBM42140
Purchase
Wt: 196.2
BDBM70984
Purchase
Wt: 187.1
BDBM71357
Purchase
Wt: 195.2
BDBM70892
Wt: 188.2
BDBM83999
Purchase
Wt: 182.2
BDBM84002
Purchase
Wt: 179.1
BDBM83941
Purchase
Wt: 190.1
BDBM83942
Wt: 154.1
BDBM89491
Purchase
Wt: 171.2
BDBM89498
Purchase
Wt: 196.2
BDBM89501
Purchase
Wt: 166.1
BDBM89505
Purchase
Wt: 157.2
BDBM89507
Purchase
Wt: 173.2
BDBM89508
Purchase
Displayed 1 to 15 (of 537 total )  |  Next  |  Last  >>

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

Found 57 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
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM83941
PNG
(6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dio...)
Show SMILES Cn1c(=O)[nH]c2nncnc2c1=O
Show InChI InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

n/an/a 2.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM83941
PNG
(6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dio...)
Show SMILES Cn1c(=O)[nH]c2nncnc2c1=O
Show InChI InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

n/an/a 2.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 2.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 2.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM34933
PNG
((2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-yl)am...)
Show SMILES CC1(C)CNc2cc(N)ccc2S1
Show InChI InChI=1S/C10H14N2S/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6,11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 3.05E+3n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 3.20E+3n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM70984
PNG
(2-[(4-aminophenyl)-(2-hydroxyethyl)amino]ethanol;h...)
Show SMILES Nc1ccc(cc1)N(CCO)CCO
Show InChI InChI=1S/C10H16N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-4,13-14H,5-8,11H2
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 4.71E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM70892
PNG
(3-(2-hydroxyanilino)-2-methyl-propionic acid | 3-(...)
Show SMILES CC(CNc1ccccc1O)C(O)=O
Show InChI InChI=1S/C10H13NO3/c1-7(10(13)14)6-11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.16E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 7.19E+3n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 7.37E+3n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM34933
PNG
((2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-yl)am...)
Show SMILES CC1(C)CNc2cc(N)ccc2S1
Show InChI InChI=1S/C10H14N2S/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6,11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 7.45E+3n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM83942
PNG
(1,4-bis(oxidanyl)naphthalene-2,3-dione | 1,4-dihyd...)
Show SMILES OC1C(=O)C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H6O4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,7,11H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.02E+4n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM71357
PNG
(4-(2-pyrimidinyloxy)aniline | 4-pyrimidin-2-yloxya...)
Show SMILES Nc1ccc(Oc2ncccn2)cc1
Show InChI InChI=1S/C10H9N3O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 1.05E+4n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 1.08E+4n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM83941
PNG
(6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dio...)
Show SMILES Cn1c(=O)[nH]c2nncnc2c1=O
Show InChI InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

n/an/a 1.14E+4n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM83942
PNG
(1,4-bis(oxidanyl)naphthalene-2,3-dione | 1,4-dihyd...)
Show SMILES OC1C(=O)C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H6O4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,7,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.25E+4n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 1.43E+4n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM83941
PNG
(6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dio...)
Show SMILES Cn1c(=O)[nH]c2nncnc2c1=O
Show InChI InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

n/an/a 1.54E+4n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM83942
PNG
(1,4-bis(oxidanyl)naphthalene-2,3-dione | 1,4-dihyd...)
Show SMILES OC1C(=O)C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H6O4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,7,11H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.93E+4n/an/an/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 (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM71357
PNG
(4-(2-pyrimidinyloxy)aniline | 4-pyrimidin-2-yloxya...)
Show SMILES Nc1ccc(Oc2ncccn2)cc1
Show InChI InChI=1S/C10H9N3O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 2.57E+4n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
YopH


(Yersinia enterocolitica)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C24TVC
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34933
PNG
((2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-yl)am...)
Show SMILES CC1(C)CNc2cc(N)ccc2S1
Show InChI InChI=1S/C10H14N2S/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6,11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
YopH


(Yersinia enterocolitica)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
YopH


(Yersinia enterocolitica)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM70892
PNG
(3-(2-hydroxyanilino)-2-methyl-propionic acid | 3-(...)
Show SMILES CC(CNc1ccccc1O)C(O)=O
Show InChI InChI=1S/C10H13NO3/c1-7(10(13)14)6-11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>8.00E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM70984
PNG
(2-[(4-aminophenyl)-(2-hydroxyethyl)amino]ethanol;h...)
Show SMILES Nc1ccc(cc1)N(CCO)CCO
Show InChI InChI=1S/C10H16N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-4,13-14H,5-8,11H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>8.00E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM70892
PNG
(3-(2-hydroxyanilino)-2-methyl-propionic acid | 3-(...)
Show SMILES CC(CNc1ccccc1O)C(O)=O
Show InChI InChI=1S/C10H13NO3/c1-7(10(13)14)6-11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>8.00E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM70892
PNG
(3-(2-hydroxyanilino)-2-methyl-propionic acid | 3-(...)
Show SMILES CC(CNc1ccccc1O)C(O)=O
Show InChI InChI=1S/C10H13NO3/c1-7(10(13)14)6-11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>8.00E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM70984
PNG
(2-[(4-aminophenyl)-(2-hydroxyethyl)amino]ethanol;h...)
Show SMILES Nc1ccc(cc1)N(CCO)CCO
Show InChI InChI=1S/C10H16N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-4,13-14H,5-8,11H2
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>8.00E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM70984
PNG
(2-[(4-aminophenyl)-(2-hydroxyethyl)amino]ethanol;h...)
Show SMILES Nc1ccc(cc1)N(CCO)CCO
Show InChI InChI=1S/C10H16N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-4,13-14H,5-8,11H2
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>8.00E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM70984
PNG
(2-[(4-aminophenyl)-(2-hydroxyethyl)amino]ethanol;h...)
Show SMILES Nc1ccc(cc1)N(CCO)CCO
Show InChI InChI=1S/C10H16N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-4,13-14H,5-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 8.83E+4n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM71357
PNG
(4-(2-pyrimidinyloxy)aniline | 4-pyrimidin-2-yloxya...)
Show SMILES Nc1ccc(Oc2ncccn2)cc1
Show InChI InChI=1S/C10H9N3O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM83942
PNG
(1,4-bis(oxidanyl)naphthalene-2,3-dione | 1,4-dihyd...)
Show SMILES OC1C(=O)C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H6O4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,7,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM83941
PNG
(6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dio...)
Show SMILES Cn1c(=O)[nH]c2nncnc2c1=O
Show InChI InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

n/an/a>1.00E+5n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM34933
PNG
((2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-yl)am...)
Show SMILES CC1(C)CNc2cc(N)ccc2S1
Show InChI InChI=1S/C10H14N2S/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6,11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM70984
PNG
(2-[(4-aminophenyl)-(2-hydroxyethyl)amino]ethanol;h...)
Show SMILES Nc1ccc(cc1)N(CCO)CCO
Show InChI InChI=1S/C10H16N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-4,13-14H,5-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+5n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 5.93E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM89507
PNG
(2-methyl-3-(1-pyrrolidinyl)propanoic acid | 2-meth...)
Show SMILES CC(CN1CCCC1)C(O)=O
Show InChI InChI=1S/C8H15NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24F1PBG
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM89508
PNG
(2-methyl-3-(4-morpholinyl)propanoic acid | 2-methy...)
Show SMILES CC(CN1CCOCC1)C(O)=O
Show InChI InChI=1S/C8H15NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h7H,2-6H2,1H3,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24F1PBG
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89491
PNG
(2-methyl-3-(1-pyrazolyl)propanoic acid | 2-methyl-...)
Show SMILES CC(Cn1cccn1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-6(7(10)11)5-9-4-2-3-8-9/h2-4,6H,5H2,1H3,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89498
PNG
(2-methyl-3-(1-piperidinyl)propanoic acid | 2-methy...)
Show SMILES CC(CN1CCCCC1)C(O)=O
Show InChI InChI=1S/C9H17NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89501
PNG
(2-methyl-3-(3,4,5-trimethyl-1-pyrazolyl)propanoic ...)
Show SMILES CC(Cn1nc(C)c(C)c1C)C(O)=O
Show InChI InChI=1S/C10H16N2O2/c1-6(10(13)14)5-12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89505
PNG
(1-(1-pyrazolylmethyl)-1-cyclopropanecarboxylic aci...)
Show SMILES OC(=O)C1(Cn2cccn2)CC1
Show InChI InChI=1S/C8H10N2O2/c11-7(12)8(2-3-8)6-10-5-1-4-9-10/h1,4-5H,2-3,6H2,(H,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89507
PNG
(2-methyl-3-(1-pyrrolidinyl)propanoic acid | 2-meth...)
Show SMILES CC(CN1CCCC1)C(O)=O
Show InChI InChI=1S/C8H15NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89508
PNG
(2-methyl-3-(4-morpholinyl)propanoic acid | 2-methy...)
Show SMILES CC(CN1CCOCC1)C(O)=O
Show InChI InChI=1S/C8H15NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h7H,2-6H2,1H3,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84002
PNG
(3-(3,5-dimethyl-1-pyrazolyl)-2-methylpropanoic aci...)
Show SMILES CC(Cn1nc(C)cc1C)C(O)=O
Show InChI InChI=1S/C9H14N2O2/c1-6(9(12)13)5-11-8(3)4-7(2)10-11/h4,6H,5H2,1-3H3,(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM70892
PNG
(3-(2-hydroxyanilino)-2-methyl-propionic acid | 3-(...)
Show SMILES CC(CNc1ccccc1O)C(O)=O
Show InChI InChI=1S/C10H13NO3/c1-7(10(13)14)6-11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM83999
PNG
(MLS000554836 | SMR000146953 | Sodium; (2Z,4Z)-3-me...)
Show SMILES C\C(\C=C/c1cccnc1)=C\C([O-])=O
Show InChI InChI=1S/C11H11NO2/c1-9(7-11(13)14)4-5-10-3-2-6-12-8-10/h2-8H,1H3,(H,13,14)/p-1/b5-4-,9-7-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+5n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM89501
PNG
(2-methyl-3-(3,4,5-trimethyl-1-pyrazolyl)propanoic ...)
Show SMILES CC(Cn1nc(C)c(C)c1C)C(O)=O
Show InChI InChI=1S/C10H16N2O2/c1-6(10(13)14)5-12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 6.36E+4n/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24F1PBG
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 57 total )  |  Next  |  Last  >>