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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
Brc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
InChI Key:
InChIKey=QAJAJGDYOXLMBH-UHFFFAOYSA-N
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 = 50496465
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Carbonic anhydrase 12
(Homo sapiens (Human))
BDBM50496465
(CHEMBL3125543)
Show SMILES
Brc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI
InChI=1S/C14H10BrNO3S/c15-12-7-3-1-5-10(12)9-16-14(17)11-6-2-4-8-13(11)20(16,18)19/h1-8H,9H2
PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
PC cid
PC sid
UniChem
Article
PubMed
25
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Sapienza University of Rome
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
Bioorg Med Chem
22:
1821
-
31
(2014)
Article DOI:
10.1016/j.bmc.2014.01.056
BindingDB Entry DOI:
10.7270/Q2NC646X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50496465
(CHEMBL3125543)
Show SMILES
Brc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI
InChI=1S/C14H10BrNO3S/c15-12-7-3-1-5-10(12)9-16-14(17)11-6-2-4-8-13(11)20(16,18)19/h1-8H,9H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
PC cid
PC sid
UniChem
Article
PubMed
44
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Sapienza University of Rome
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
Bioorg Med Chem
22:
1821
-
31
(2014)
Article DOI:
10.1016/j.bmc.2014.01.056
BindingDB Entry DOI:
10.7270/Q2NC646X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM50496465
(CHEMBL3125543)
Show SMILES
Brc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI
InChI=1S/C14H10BrNO3S/c15-12-7-3-1-5-10(12)9-16-14(17)11-6-2-4-8-13(11)20(16,18)19/h1-8H,9H2
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Sapienza University of Rome
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
Bioorg Med Chem
22:
1821
-
31
(2014)
Article DOI:
10.1016/j.bmc.2014.01.056
BindingDB Entry DOI:
10.7270/Q2NC646X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM50496465
(CHEMBL3125543)
Show SMILES
Brc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI
InChI=1S/C14H10BrNO3S/c15-12-7-3-1-5-10(12)9-16-14(17)11-6-2-4-8-13(11)20(16,18)19/h1-8H,9H2
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Sapienza University of Rome
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
Bioorg Med Chem
22:
1821
-
31
(2014)
Article DOI:
10.1016/j.bmc.2014.01.056
BindingDB Entry DOI:
10.7270/Q2NC646X
More data for this
Ligand-Target Pair
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