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BDBM50028565 CHEMBL3342504

SMILES: NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccc(Cl)cc1)n(C(=O)c1ccc(Cl)cc1)c2=O

InChI Key: InChIKey=KASAXVUFAAEBGF-UHFFFAOYSA-N

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 = 50028565   
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))
BDBM50028565
PNG
(CHEMBL3342504)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccc(Cl)cc1)n(C(=O)c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C31H19BrCl2N4O4S/c32-21-7-1-18(2-8-21)26-17-37(24-13-15-25(16-14-24)43(35,41)42)29-27(26)31(40)38(30(39)20-5-11-23(34)12-6-20)28(36-29)19-3-9-22(33)10-4-19/h1-17H,(H2,35,41,42)
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15n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028565
PNG
(CHEMBL3342504)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccc(Cl)cc1)n(C(=O)c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C31H19BrCl2N4O4S/c32-21-7-1-18(2-8-21)26-17-37(24-13-15-25(16-14-24)43(35,41)42)29-27(26)31(40)38(30(39)20-5-11-23(34)12-6-20)28(36-29)19-3-9-22(33)10-4-19/h1-17H,(H2,35,41,42)
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488n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028565
PNG
(CHEMBL3342504)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccc(Cl)cc1)n(C(=O)c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C31H19BrCl2N4O4S/c32-21-7-1-18(2-8-21)26-17-37(24-13-15-25(16-14-24)43(35,41)42)29-27(26)31(40)38(30(39)20-5-11-23(34)12-6-20)28(36-29)19-3-9-22(33)10-4-19/h1-17H,(H2,35,41,42)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028565
PNG
(CHEMBL3342504)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccc(Cl)cc1)n(C(=O)c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C31H19BrCl2N4O4S/c32-21-7-1-18(2-8-21)26-17-37(24-13-15-25(16-14-24)43(35,41)42)29-27(26)31(40)38(30(39)20-5-11-23(34)12-6-20)28(36-29)19-3-9-22(33)10-4-19/h1-17H,(H2,35,41,42)
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UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair