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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 25898   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM25898
PNG
(7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoli...)
Show SMILES CCC1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O
Show InChI InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
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KEGG

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KEGG
PC cid
PC sid
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Similars

Article
PubMed
1.26E+3 -33.7n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM25898
PNG
(7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoli...)
Show SMILES CCC1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O
Show InChI InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
Article
PubMed
3.50E+4 -25.4n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair