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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50088778   
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))
BDBM50088778
PNG
(CHEMBL275565 | N,N-dialkylthio-carbonylsulfenylami...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N6O5S5/c1-19-12(27-13(16-19)29(15,21)22)18-30(23,24)11-4-2-10(3-5-11)17-28-14(26)20-6-8-25-9-7-20/h2-5,17H,6-9H2,1H3,(H2,15,21,22)/b18-12+
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0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50088778
PNG
(CHEMBL275565 | N,N-dialkylthio-carbonylsulfenylami...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N6O5S5/c1-19-12(27-13(16-19)29(15,21)22)18-30(23,24)11-4-2-10(3-5-11)17-28-14(26)20-6-8-25-9-7-20/h2-5,17H,6-9H2,1H3,(H2,15,21,22)/b18-12+
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50088778
PNG
(CHEMBL275565 | N,N-dialkylthio-carbonylsulfenylami...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N6O5S5/c1-19-12(27-13(16-19)29(15,21)22)18-30(23,24)11-4-2-10(3-5-11)17-28-14(26)20-6-8-25-9-7-20/h2-5,17H,6-9H2,1H3,(H2,15,21,22)/b18-12+
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I (CAI)


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair