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BDBM50070606 CHEMBL3408993

SMILES: [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1

InChI Key: InChIKey=PINIWKKIOHMJTQ-UHFFFAOYSA-M

Data: 4 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 4 hits for monomerid = 50070606   
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 2


(Homo sapiens (Human))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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0.200n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus-Bos taurus (Cattle)-Bos taurus (bovine))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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2n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 5


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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3n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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6n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair