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BDBM50056538 CHEMBL159820::[3-(5-Chloro-benzothiazol-2-ylmethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-acetic acid::{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID

SMILES: OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O

InChI Key: InChIKey=RQWICELTTDJODO-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 4 PDB IDs match this monomer.

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 2 hits for monomerid = 50056538   
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
Aldehyde reductase


(Rattus norvegicus)
BDBM50056538
PNG
(CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O
Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50056538
PNG
(CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O
Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat lens aldose reductase(AR).


J Med Chem 40: 684-94 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)