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BDBM50289741 CHEMBL418106::[3-Oxo-4-(5-trifluoromethyl-benzothiazol-2-ylmethyl)-5,6-dihydro-3H-benzo[h]cinnolin-2-yl]-acetic acid

SMILES: OC(=O)Cn1nc-2c(CCc3ccccc-23)c(Cc2nc3cc(ccc3s2)C(F)(F)F)c1=O

InChI Key: InChIKey=WDSIURMLIZMUHJ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50289741   
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
Aldose reductase


(Bos taurus (Cattle))
BDBM50289741
PNG
(CHEMBL418106 | [3-Oxo-4-(5-trifluoromethyl-benzoth...)
Show SMILES OC(=O)Cn1nc-2c(CCc3ccccc-23)c(Cc2nc3cc(ccc3s2)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H16F3N3O3S/c24-23(25,26)13-6-8-18-17(9-13)27-19(33-18)10-16-15-7-5-12-3-1-2-4-14(12)21(15)28-29(22(16)32)11-20(30)31/h1-4,6,8-9H,5,7,10-11H2,(H,30,31)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Functional antagonism against ETA receptor in rat aortic rings expressed as pA2 value


Bioorg Med Chem Lett 7: 1897-1902 (1997)


Article DOI: 10.1016/S0960-894X(97)00321-1
BindingDB Entry DOI: 10.7270/Q29S1R18
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50289741
PNG
(CHEMBL418106 | [3-Oxo-4-(5-trifluoromethyl-benzoth...)
Show SMILES OC(=O)Cn1nc-2c(CCc3ccccc-23)c(Cc2nc3cc(ccc3s2)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H16F3N3O3S/c24-23(25,26)13-6-8-18-17(9-13)27-19(33-18)10-16-15-7-5-12-3-1-2-4-14(12)21(15)28-29(22(16)32)11-20(30)31/h1-4,6,8-9H,5,7,10-11H2,(H,30,31)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against modified enzyme form of S-glutathionyl Aldose reductase


Bioorg Med Chem Lett 7: 1897-1902 (1997)


Article DOI: 10.1016/S0960-894X(97)00321-1
BindingDB Entry DOI: 10.7270/Q29S1R18
More data for this
Ligand-Target Pair