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BDBM392763 1′-Cyclohexyl-6-(4-methyl-piperazin-1-yl)-1H,1′H-[4,5′]bibenzimidazolyl-7-carboxamide::US10301305, Example 106

SMILES: CN1CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

InChI Key: InChIKey=MNTLIEPXNVSQJN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 392763   
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
D-alanine--D-alanyl carrier protein ligase


(Staphylococcus aureus (strain SA113))
BDBM392763
PNG
(1′-Cyclohexyl-6-(4-methyl-piperazin-1-yl)-1H...)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H31N7O/c1-31-9-11-32(12-10-31)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-7-8-21-20(13-17)30-16-33(21)18-5-3-2-4-6-18/h7-8,13-16,18H,2-6,9-12H2,1H3,(H2,27,34)(H,28,29)
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



GSK



Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


Bioorg Med Chem Lett 18: 5018-22 (2008)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM392763
PNG
(1′-Cyclohexyl-6-(4-methyl-piperazin-1-yl)-1H...)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H31N7O/c1-31-9-11-32(12-10-31)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-7-8-21-20(13-17)30-16-33(21)18-5-3-2-4-6-18/h7-8,13-16,18H,2-6,9-12H2,1H3,(H2,27,34)(H,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



GSK



Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


Bioorg Med Chem Lett 18: 5018-22 (2008)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecium E1679)
BDBM392763
PNG
(1′-Cyclohexyl-6-(4-methyl-piperazin-1-yl)-1H...)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H31N7O/c1-31-9-11-32(12-10-31)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-7-8-21-20(13-17)30-16-33(21)18-5-3-2-4-6-18/h7-8,13-16,18H,2-6,9-12H2,1H3,(H2,27,34)(H,28,29)
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/an/an/an/an/an/a



GSK



Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


Bioorg Med Chem Lett 18: 5018-22 (2008)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair
D-alanine--D-alanyl carrier protein ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))
BDBM392763
PNG
(1′-Cyclohexyl-6-(4-methyl-piperazin-1-yl)-1H...)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O
Show InChI InChI=1S/C26H31N7O/c1-31-9-11-32(12-10-31)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-7-8-21-20(13-17)30-16-33(21)18-5-3-2-4-6-18/h7-8,13-16,18H,2-6,9-12H2,1H3,(H2,27,34)(H,28,29)
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



GSK



Assay Description
The assay buffer “AB” contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The followi...


Bioorg Med Chem Lett 18: 5018-22 (2008)


BindingDB Entry DOI: 10.7270/Q2R213Q5
More data for this
Ligand-Target Pair