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2 similar compounds to monomer 50395391

Compile data set for download or QSAR
Wt: 394.4
BDBM62139
Purchase
Wt: 516.5
BDBM50395390

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 62139,50395390   
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 12


(Homo sapiens (Human))
BDBM50395390
PNG
(CHEMBL2164738)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H24N4O6S2/c1-16(28)26-19-8-12-22(13-9-19)35(32,33)27-20-6-4-18(5-7-20)23(29)25-15-14-17-2-10-21(11-3-17)34(24,30)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,28)(H2,24,30,31)
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3.90n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50395390
PNG
(CHEMBL2164738)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H24N4O6S2/c1-16(28)26-19-8-12-22(13-9-19)35(32,33)27-20-6-4-18(5-7-20)23(29)25-15-14-17-2-10-21(11-3-17)34(24,30)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,28)(H2,24,30,31)
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4.5n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50395390
PNG
(CHEMBL2164738)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H24N4O6S2/c1-16(28)26-19-8-12-22(13-9-19)35(32,33)27-20-6-4-18(5-7-20)23(29)25-15-14-17-2-10-21(11-3-17)34(24,30)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,28)(H2,24,30,31)
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5.20n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50395390
PNG
(CHEMBL2164738)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H24N4O6S2/c1-16(28)26-19-8-12-22(13-9-19)35(32,33)27-20-6-4-18(5-7-20)23(29)25-15-14-17-2-10-21(11-3-17)34(24,30)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,28)(H2,24,30,31)
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12.9n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50395390
PNG
(CHEMBL2164738)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H24N4O6S2/c1-16(28)26-19-8-12-22(13-9-19)35(32,33)27-20-6-4-18(5-7-20)23(29)25-15-14-17-2-10-21(11-3-17)34(24,30)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,28)(H2,24,30,31)
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379n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50395390
PNG
(CHEMBL2164738)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H24N4O6S2/c1-16(28)26-19-8-12-22(13-9-19)35(32,33)27-20-6-4-18(5-7-20)23(29)25-15-14-17-2-10-21(11-3-17)34(24,30)31/h2-13,27H,14-15H2,1H3,(H,25,29)(H,26,28)(H2,24,30,31)
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384n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM62139
PNG
(4-[methyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benza...)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H22N2O3S/c1-24(20-10-6-3-7-11-20)28(26,27)21-14-12-19(13-15-21)22(25)23-17-16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,23,25)
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PCBioAssay
n/an/a 1.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair