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1 similar compounds to monomer 45049

Compile data set for download or QSAR
Wt: 391.4
BDBM53947

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 53947   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53947
PNG
(4-[(N'E)-N'-(6-ketocyclohexa-2,4-dien-1-ylidene)hy...)
Show SMILES Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O
Show InChI InChI=1S/C20H17N5O2S/c1-12-7-9-14(10-8-12)16-11-28-20(21-16)25-19(27)18(13(2)24-25)23-22-15-5-3-4-6-17(15)26/h3-11,24,26H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.37E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM53947
PNG
(4-[(N'E)-N'-(6-ketocyclohexa-2,4-dien-1-ylidene)hy...)
Show SMILES Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O
Show InChI InChI=1S/C20H17N5O2S/c1-12-7-9-14(10-8-12)16-11-28-20(21-16)25-19(27)18(13(2)24-25)23-22-15-5-3-4-6-17(15)26/h3-11,24,26H,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.67E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens)
BDBM53947
PNG
(4-[(N'E)-N'-(6-ketocyclohexa-2,4-dien-1-ylidene)hy...)
Show SMILES Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O
Show InChI InChI=1S/C20H17N5O2S/c1-12-7-9-14(10-8-12)16-11-28-20(21-16)25-19(27)18(13(2)24-25)23-22-15-5-3-4-6-17(15)26/h3-11,24,26H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.69E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
BDBM53947
PNG
(4-[(N'E)-N'-(6-ketocyclohexa-2,4-dien-1-ylidene)hy...)
Show SMILES Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O
Show InChI InChI=1S/C20H17N5O2S/c1-12-7-9-14(10-8-12)16-11-28-20(21-16)25-19(27)18(13(2)24-25)23-22-15-5-3-4-6-17(15)26/h3-11,24,26H,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.57E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM53947
PNG
(4-[(N'E)-N'-(6-ketocyclohexa-2,4-dien-1-ylidene)hy...)
Show SMILES Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O
Show InChI InChI=1S/C20H17N5O2S/c1-12-7-9-14(10-8-12)16-11-28-20(21-16)25-19(27)18(13(2)24-25)23-22-15-5-3-4-6-17(15)26/h3-11,24,26H,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.67E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair