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BDBM50028557 CHEMBL3342496

SMILES: Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=HHUNJXUYIOPKCN-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 = 50028557   
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 9


(Homo sapiens (Human))
BDBM50028557
PNG
(CHEMBL3342496)
Show SMILES Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14BrN5O3S/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(25)23-17)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H2,21,26,27)(H3,20,22,23,25)
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24n/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 12


(Homo sapiens (Human))
BDBM50028557
PNG
(CHEMBL3342496)
Show SMILES Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14BrN5O3S/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(25)23-17)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H2,21,26,27)(H3,20,22,23,25)
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49n/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 1


(Homo sapiens (Human))
BDBM50028557
PNG
(CHEMBL3342496)
Show SMILES Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14BrN5O3S/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(25)23-17)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H2,21,26,27)(H3,20,22,23,25)
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61n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028557
PNG
(CHEMBL3342496)
Show SMILES Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14BrN5O3S/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(25)23-17)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H2,21,26,27)(H3,20,22,23,25)
PDB
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205n/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