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BDBM50167400 CHEMBL193958::sulfanilamide derivative

SMILES: Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=GGLQXYBVHDEIGU-HQFQYWSCSA-L

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50167400   
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))
BDBM50167400
PNG
(CHEMBL193958 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O |c:33,45,t:6,8|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-10,17H,1H3,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-9+;;;
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5.5n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167400
PNG
(CHEMBL193958 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O |c:33,45,t:6,8|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-10,17H,1H3,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-9+;;;
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6.80n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167400
PNG
(CHEMBL193958 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O |c:33,45,t:6,8|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-10,17H,1H3,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-9+;;;
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7.40n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167400
PNG
(CHEMBL193958 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O |c:33,45,t:6,8|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-10,17H,1H3,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-9+;;;
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PubMed
10n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair