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BDBM53907 2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-2-hydroxy-5-nitrobenzylidene}acetohydrazide::2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-[(E)-(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide::2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-[(E)-(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide::2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-[(E)-(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide::2-(5-azanyl-1,3,4-thiadiazol-2-yl)-N'-[(E)-(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide::MLS000705091::SMR000230750::cid_16189248

SMILES: Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1

InChI Key: InChIKey=JOGNNXYVYUFRSA-LNKIKWGQSA-O

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 53907   
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))
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.00E+4n/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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.31E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.09E+5n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.79E+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/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.06E+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/Q2H130G1
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair