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BDBM85513 ACS No 10::CAS_54-21-7::NSC_5900::Sodium salicylate::sal

SMILES: Oc1ccccc1C([O-])=O

InChI Key: InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M

Data: 4 KI

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 4 hits for monomerid = 85513   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM85513
PNG
(ACS No 10 | CAS_54-21-7 | NSC_5900 | Sodium salicy...)
Show SMILES Oc1ccccc1C([O-])=O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM85513
PNG
(ACS No 10 | CAS_54-21-7 | NSC_5900 | Sodium salicy...)
Show SMILES Oc1ccccc1C([O-])=O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM85513
PNG
(ACS No 10 | CAS_54-21-7 | NSC_5900 | Sodium salicy...)
Show SMILES Oc1ccccc1C([O-])=O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM85513
PNG
(ACS No 10 | CAS_54-21-7 | NSC_5900 | Sodium salicy...)
Show SMILES Oc1ccccc1C([O-])=O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.19E+5n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q2B56HBD
More data for this
Ligand-Target Pair