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SMILES: OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)Nc2ccc(F)cc2)c1)P(O)(O)=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 543975   
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
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM543975
PNG
(US11279719, Example I-7)
Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)Nc2ccc(F)cc2)c1)P(O)(O)=O
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01913
BindingDB Entry DOI: 10.7270/Q28K7F00
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM543975
PNG
(US11279719, Example I-7)
Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)Nc2ccc(F)cc2)c1)P(O)(O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
The assay was based on a literature procedure (Kavanagh, et al. J. Biol. Chem., 2006, 281, 22004-22012) with minor modifications. All assays were run...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JQ1470
More data for this
Ligand-Target Pair