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BDBM16417 (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid::2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid::N-Phthaloylglycine::N-Phthalylglycine

SMILES: OC(=O)CN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=WQINSVOOIJDOLJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 16417   
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
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
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Article
PubMed
4.30n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
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Article
PubMed
223n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
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Article
PubMed
1.50E+3 -7.94n/an/an/an/an/a7.025



Medical College of Wiscosin



Assay Description
The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...


Bioorg Chem 34: 424-44 (2006)


Article DOI: 10.1016/j.bioorg.2006.09.004
BindingDB Entry DOI: 10.7270/Q2SN076W
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
PDB
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PC cid
PC sid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair