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BDBM31963 carbohydrazide derivative, 5f

SMILES: Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br

InChI Key: InChIKey=XUIQHQAYNMKXCZ-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 31963   
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
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31963
PNG
(carbohydrazide derivative, 5f)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br
Show InChI InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.75E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM31963
PNG
(carbohydrazide derivative, 5f)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br
Show InChI InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.65E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of at N-terminal GST-tagged SIRT2 (34 to 356 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM31963
PNG
(carbohydrazide derivative, 5f)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br
Show InChI InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair