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SMILES: [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12

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 = 50597268   
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))
BDBM50597268
PNG
(CHEMBL5171625)
Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:20.23,4.7,1.0,(-1.88,-.64,;-1.49,.84,;-.73,2.18,;.81,2.16,;1.57,.84,;.8,-.49,;-.72,-.48,;3.11,.83,;3.89,2.16,;3.12,3.5,;5.43,2.16,;6.19,.82,;7.72,.81,;8.5,2.15,;10.03,2.14,;10.81,3.47,;10.05,4.81,;8.5,4.82,;7.72,3.49,;6.19,3.49,;-3.01,.84,;-3.34,2.35,;-4.16,-.19,;-4.15,-1.73,;-2.82,-2.49,;-1.49,-1.71,;-2.81,-4.04,;-4.14,-4.81,;-5.48,-4.04,;-6.81,-4.82,;-8.15,-4.05,;-8.14,-2.5,;-9.48,-1.74,;-10.81,-2.51,;-6.81,-1.74,;-5.48,-2.5,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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)
BDBM50597268
PNG
(CHEMBL5171625)
Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:20.23,4.7,1.0,(-1.88,-.64,;-1.49,.84,;-.73,2.18,;.81,2.16,;1.57,.84,;.8,-.49,;-.72,-.48,;3.11,.83,;3.89,2.16,;3.12,3.5,;5.43,2.16,;6.19,.82,;7.72,.81,;8.5,2.15,;10.03,2.14,;10.81,3.47,;10.05,4.81,;8.5,4.82,;7.72,3.49,;6.19,3.49,;-3.01,.84,;-3.34,2.35,;-4.16,-.19,;-4.15,-1.73,;-2.82,-2.49,;-1.49,-1.71,;-2.81,-4.04,;-4.14,-4.81,;-5.48,-4.04,;-6.81,-4.82,;-8.15,-4.05,;-8.14,-2.5,;-9.48,-1.74,;-10.81,-2.51,;-6.81,-1.74,;-5.48,-2.5,)|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+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)
BDBM50597268
PNG
(CHEMBL5171625)
Show SMILES [H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:20.23,4.7,1.0,(-1.88,-.64,;-1.49,.84,;-.73,2.18,;.81,2.16,;1.57,.84,;.8,-.49,;-.72,-.48,;3.11,.83,;3.89,2.16,;3.12,3.5,;5.43,2.16,;6.19,.82,;7.72,.81,;8.5,2.15,;10.03,2.14,;10.81,3.47,;10.05,4.81,;8.5,4.82,;7.72,3.49,;6.19,3.49,;-3.01,.84,;-3.34,2.35,;-4.16,-.19,;-4.15,-1.73,;-2.82,-2.49,;-1.49,-1.71,;-2.81,-4.04,;-4.14,-4.81,;-5.48,-4.04,;-6.81,-4.82,;-8.15,-4.05,;-8.14,-2.5,;-9.48,-1.74,;-10.81,-2.51,;-6.81,-1.74,;-5.48,-2.5,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/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