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SMILES: Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50551108   
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))
BDBM50551108
PNG
(CHEMBL4758858)
Show SMILES Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
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6.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50551108
PNG
(CHEMBL4758858)
Show SMILES Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
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46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50551108
PNG
(CHEMBL4758858)
Show SMILES Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
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61n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50551108
PNG
(CHEMBL4758858)
Show SMILES Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
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1.33E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50551108
PNG
(CHEMBL4758858)
Show SMILES Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
PDB
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n/an/a>1.25E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full-length N-terminal GST/His6-tagged CDK9 (1 to 372 residues)/His6-tagged Cyclin-T1 (1 to 726 residues) expressed in sf9 cells ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50551108
PNG
(CHEMBL4758858)
Show SMILES Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
PDB

UniProtKB/SwissProt

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PC sid
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Article
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n/an/a>1.25E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate in presence of [gamma3...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair