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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50237175   
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))
BDBM50237175
PNG
(CHEMBL4098919)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-32(28,29)18-4-2-17(3-5-18)24-21(27)23-7-8-25-9-11-26(12-10-25)14-16-1-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2,(H2,22,28,29)(H2,23,24,27)
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Article
PubMed
6.10n/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))
BDBM50237175
PNG
(CHEMBL4098919)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-32(28,29)18-4-2-17(3-5-18)24-21(27)23-7-8-25-9-11-26(12-10-25)14-16-1-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2,(H2,22,28,29)(H2,23,24,27)
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360n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Tested for the ability to displace [3H]WIN-35 428 binding to dopamine transporter (DAT) in rat striatal tissue


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))
BDBM50237175
PNG
(CHEMBL4098919)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-32(28,29)18-4-2-17(3-5-18)24-21(27)23-7-8-25-9-11-26(12-10-25)14-16-1-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2,(H2,22,28,29)(H2,23,24,27)
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3.39E+3n/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))
BDBM50237175
PNG
(CHEMBL4098919)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-32(28,29)18-4-2-17(3-5-18)24-21(27)23-7-8-25-9-11-26(12-10-25)14-16-1-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2,(H2,22,28,29)(H2,23,24,27)
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>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