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BDBM95391 2-chloro-5-(5-{[(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)imino]methyl}-2-furyl)benzoic acid::MLS000676587::SMR000298460::cid_9554526

SMILES: [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(\N=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O

InChI Key: InChIKey=GFXHOXSPAONPJO-YCPBAFNGSA-N

Data: 1 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 1 hit for monomerid = 95391   
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
MSRA protein


(Bos taurus)
BDBM95391
PNG
(2-chloro-5-(5-{[(3,5-dioxo-4-azatetracyclo[5.3.2.0...)
Show SMILES [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(\N=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O |c:2,TLB:31:9:6.8:2.3,7:8:10.9:2.3,THB:11:10:6.8:2.3,7:6:10.9:2.3|
Show InChI InChI=1S/C23H17ClN2O5/c24-17-5-1-10(7-16(17)23(29)30)18-6-2-11(31-18)9-25-26-21(27)19-12-3-4-13(15-8-14(12)15)20(19)22(26)28/h1-7,9,12-15,19-20H,8H2,(H,29,30)/b25-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair