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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50237190   
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))
BDBM50237190
PNG
(CHEMBL4094554)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H24F3N5O3S/c21-20(22,23)15-1-5-17(6-2-15)28-13-11-27(12-14-28)10-9-25-19(29)26-16-3-7-18(8-4-16)32(24,30)31/h1-8H,9-14H2,(H2,24,30,31)(H2,25,26,29)
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Article
PubMed
51n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


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))
BDBM50237190
PNG
(CHEMBL4094554)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H24F3N5O3S/c21-20(22,23)15-1-5-17(6-2-15)28-13-11-27(12-14-28)10-9-25-19(29)26-16-3-7-18(8-4-16)32(24,30)31/h1-8H,9-14H2,(H2,24,30,31)(H2,25,26,29)
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59n/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))
BDBM50237190
PNG
(CHEMBL4094554)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H24F3N5O3S/c21-20(22,23)15-1-5-17(6-2-15)28-13-11-27(12-14-28)10-9-25-19(29)26-16-3-7-18(8-4-16)32(24,30)31/h1-8H,9-14H2,(H2,24,30,31)(H2,25,26,29)
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8.13E+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))
BDBM50237190
PNG
(CHEMBL4094554)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H24F3N5O3S/c21-20(22,23)15-1-5-17(6-2-15)28-13-11-27(12-14-28)10-9-25-19(29)26-16-3-7-18(8-4-16)32(24,30)31/h1-8H,9-14H2,(H2,24,30,31)(H2,25,26,29)
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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