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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50237192   
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))
BDBM50237192
PNG
(CHEMBL4072947)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H24FN5O3S/c20-15-1-5-17(6-2-15)25-13-11-24(12-14-25)10-9-22-19(26)23-16-3-7-18(8-4-16)29(21,27)28/h1-8H,9-14H2,(H2,21,27,28)(H2,22,23,26)
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Article
PubMed
0.690n/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 1


(Homo sapiens (Human))
BDBM50237192
PNG
(CHEMBL4072947)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H24FN5O3S/c20-15-1-5-17(6-2-15)25-13-11-24(12-14-25)10-9-22-19(26)23-16-3-7-18(8-4-16)29(21,27)28/h1-8H,9-14H2,(H2,21,27,28)(H2,22,23,26)
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PubMed
3.49E+3n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Effective concentration of compound required against human Dopamine D4.2 receptor


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))
BDBM50237192
PNG
(CHEMBL4072947)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H24FN5O3S/c20-15-1-5-17(6-2-15)25-13-11-24(12-14-25)10-9-22-19(26)23-16-3-7-18(8-4-16)29(21,27)28/h1-8H,9-14H2,(H2,21,27,28)(H2,22,23,26)
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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
In vitro reversal of vecuronium-induced block in isolated 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 12


(Homo sapiens (Human))
BDBM50237192
PNG
(CHEMBL4072947)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H24FN5O3S/c20-15-1-5-17(6-2-15)25-13-11-24(12-14-25)10-9-22-19(26)23-16-3-7-18(8-4-16)29(21,27)28/h1-8H,9-14H2,(H2,21,27,28)(H2,22,23,26)
PDB
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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