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BDBM24605 3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea::Benzimidazole urea analogue, 9

SMILES: CCNC(=O)Nc1nc2cc(-c3cccnc3)c(cc2[nH]1)N1CCCCC1

InChI Key: InChIKey=OTZGDJFOSDFRBQ-UHFFFAOYSA-N

Data: 3 KI

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 = 24605   
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
DNA Gyrase


(Staphylococcus aureus)
BDBM24605
PNG
(3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-...)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(cc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C20H24N6O/c1-2-22-20(27)25-19-23-16-11-15(14-7-6-8-21-13-14)18(12-17(16)24-19)26-9-4-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H3,22,23,24,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
81 -9.83n/an/an/an/an/a7.530



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM24605
PNG
(3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-...)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(cc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C20H24N6O/c1-2-22-20(27)25-19-23-16-11-15(14-7-6-8-21-13-14)18(12-17(16)24-19)26-9-4-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H3,22,23,24,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
120n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24605
PNG
(3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-...)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(cc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C20H24N6O/c1-2-22-20(27)25-19-23-16-11-15(14-7-6-8-21-13-14)18(12-17(16)24-19)26-9-4-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H3,22,23,24,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair