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BDBM50330336 CHEMBL1276016::Ethyl1-(3-((4-hydroxyphenyl)diazenyl)phenyl)-5-phenyl-3-(5-sulfamoyl-1,3,4-thiadiazol-2-ylcarbamoyl)-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=XQIPHDFBSIMLKC-UHFFFAOYSA-N

Data: 2 KI  4 IC50

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 6 hits for monomerid = 50330336   
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))
BDBM50330336
PNG
(CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24|
Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)
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950n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 4769-73 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.041
BindingDB Entry DOI: 10.7270/Q2X06796
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50330336
PNG
(CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24|
Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)
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1.63E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 4769-73 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.041
BindingDB Entry DOI: 10.7270/Q2X06796
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50330336
PNG
(CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24|
Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)
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n/an/a 470n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry


Eur J Med Chem 45: 4769-73 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.041
BindingDB Entry DOI: 10.7270/Q2X06796
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50330336
PNG
(CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24|
Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry


Eur J Med Chem 45: 4769-73 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.041
BindingDB Entry DOI: 10.7270/Q2X06796
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50330336
PNG
(CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24|
Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)
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n/an/a 120n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry


Eur J Med Chem 45: 4769-73 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.041
BindingDB Entry DOI: 10.7270/Q2X06796
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50330336
PNG
(CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24|
Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)
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n/an/a 450n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry


Eur J Med Chem 45: 4769-73 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.041
BindingDB Entry DOI: 10.7270/Q2X06796
More data for this
Ligand-Target Pair