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SMILES: Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23

InChI Key:

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 = 50597277   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50597277
PNG
(CHEMBL5208691)
Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)
BDBM50597277
PNG
(CHEMBL5208691)
Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50597277
PNG
(CHEMBL5208691)
Show SMILES Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00111
BindingDB Entry DOI: 10.7270/Q2TT4W0M
More data for this
Ligand-Target Pair