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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
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null
SMILES:
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O
InChI Key:
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
11
hits for monomerid = 50580100
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))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
3.60
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Carbonic anhydrase 7
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
MMDB
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KEGG
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AffyNet
PC cid
PC sid
UniChem
Article
PubMed
9.30
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
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PC cid
PC sid
UniChem
Article
PubMed
58
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human carbonic anhydrase 5A by stopped-flow CO2 hydration assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
161
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human carbonic anhydrase 5B by stopped-flow CO2 hydration assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
MMDB
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KEGG
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
6.54E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of telomerase in human HCT-116 cells by TRAP assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
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AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.48E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of telomerase in human COLO 205 cells by TRAP assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.86E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of telomerase in human HT-29 cells by TRAP assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase
(Homo sapiens (Human))
BDBM50580100
(CHEMBL5089227)
Show SMILES
Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.24E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of telomerase in human SW-620 cells by TRAP assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI:
10.7270/Q2V4103G
More data for this
Ligand-Target Pair
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