BDBM49297 1,1-diketo-2-[[3-(4-methoxyphenyl)-2-isoxazolin-5-yl]methyl]-1,2-benzothiazol-3-one::2-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one::2-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one::2-[[3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one::2-{[3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide::MLS000052515::SMR000081975::cid_2815883

SMILES COc1ccc(cc1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1

InChI Key InChIKey=UOFBTAKGZNRPGD-UHFFFAOYSA-N

Data  4 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 49297   

TargetCarbonic anhydrase 12(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM49297(cid_2815883 | 2-[[3-(4-methoxyphenyl)-4,5-dihydro-...)
Affinity DataKi:  8.10nMAssay Description:Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM49297(cid_2815883 | 2-[[3-(4-methoxyphenyl)-4,5-dihydro-...)
Affinity DataKi:  139nMAssay Description:Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM49297(cid_2815883 | 2-[[3-(4-methoxyphenyl)-4,5-dihydro-...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM49297(cid_2815883 | 2-[[3-(4-methoxyphenyl)-4,5-dihydro-...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTranscription factor p65(Human)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM49297(cid_2815883 | 2-[[3-(4-methoxyphenyl)-4,5-dihydro-...)
Affinity DataEC50:  5.50E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay