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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50237178   
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))
BDBM50237178
PNG
(CHEMBL4068266)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C21H27N5O4S/c1-16(27)17-2-6-19(7-3-17)26-14-12-25(13-15-26)11-10-23-21(28)24-18-4-8-20(9-5-18)31(22,29)30/h2-9H,10-15H2,1H3,(H2,22,29,30)(H2,23,24,28)
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Article
PubMed
26n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
BindingDB Entry DOI: 10.7270/Q25X2C6G
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237178
PNG
(CHEMBL4068266)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C21H27N5O4S/c1-16(27)17-2-6-19(7-3-17)26-14-12-25(13-15-26)11-10-23-21(28)24-18-4-8-20(9-5-18)31(22,29)30/h2-9H,10-15H2,1H3,(H2,22,29,30)(H2,23,24,28)
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PubMed
490n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
BindingDB Entry DOI: 10.7270/Q25X2C6G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50237178
PNG
(CHEMBL4068266)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C21H27N5O4S/c1-16(27)17-2-6-19(7-3-17)26-14-12-25(13-15-26)11-10-23-21(28)24-18-4-8-20(9-5-18)31(22,29)30/h2-9H,10-15H2,1H3,(H2,22,29,30)(H2,23,24,28)
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Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
BindingDB Entry DOI: 10.7270/Q25X2C6G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50237178
PNG
(CHEMBL4068266)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C21H27N5O4S/c1-16(27)17-2-6-19(7-3-17)26-14-12-25(13-15-26)11-10-23-21(28)24-18-4-8-20(9-5-18)31(22,29)30/h2-9H,10-15H2,1H3,(H2,22,29,30)(H2,23,24,28)
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Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
BindingDB Entry DOI: 10.7270/Q25X2C6G
More data for this
Ligand-Target Pair