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BDBM81507 MC-207,110

SMILES: [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc2ccccc2c1

InChI Key: InChIKey=ZNHUFUZDUQRKBB-HMTLIYDFSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 81507   
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
AcrAB-TolC


(Escherichia coli)
BDBM81507
PNG
(MC-207,110)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22?/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.90E+5n/an/an/a7.5n/a



University of Oklahoma



Assay Description
Binding of inhibitors and substrates to immobilized AcrB.


Chem Biol 18: 454-63 (2011)


Article DOI: 10.1016/j.chembiol.2011.02.011
BindingDB Entry DOI: 10.7270/Q2DN43JT
More data for this
Ligand-Target Pair
AcrAB-TolC


(Escherichia coli)
BDBM81507
PNG
(MC-207,110)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22?/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.10E+5n/an/an/a6.0n/a



University of Oklahoma



Assay Description
Binding of inhibitors and substrates to immobilized AcrB.


Chem Biol 18: 454-63 (2011)


Article DOI: 10.1016/j.chembiol.2011.02.011
BindingDB Entry DOI: 10.7270/Q2DN43JT
More data for this
Ligand-Target Pair