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BDBM16472 2-{4-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid::Indoleacetic Acid Inhibitor 30

SMILES: OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12

InChI Key: InChIKey=CDWSQWCRQNBXLX-UHFFFAOYSA-N

Data: 2 IC50

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 = 16472   
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


(Homo sapiens (Human))
BDBM16472
PNG
(2-{4-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12
Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-2-1-3-12-15(9)8(6-24(12)7-14(25)26)4-13-23-17-16(22)10(20)5-11(21)18(17)27-13/h1-3,5-6H,4,7H2,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



The Institute for Diabetes Discovery



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16472
PNG
(2-{4-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12
Show InChI InChI=1S/C18H10ClF3N2O2S/c19-9-2-1-3-12-15(9)8(6-24(12)7-14(25)26)4-13-23-17-16(22)10(20)5-11(21)18(17)27-13/h1-3,5-6H,4,7H2,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/a6.637



The Institute for Diabetes Discovery



Assay Description
The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...


J Med Chem 48: 3141-52 (2005)


Article DOI: 10.1021/jm0492094
BindingDB Entry DOI: 10.7270/Q2J38QSN
More data for this
Ligand-Target Pair