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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50331094   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50331094
PNG
(4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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1.5n/an/an/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin)


J Med Chem 58: 3672-81 (2015)


Article DOI: 10.1021/jm501464c
BindingDB Entry DOI: 10.7270/Q2RR2106
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50331094
PNG
(4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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133n/an/an/an/an/an/an/an/a



"Magna Gr£cia" University of Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111565
BindingDB Entry DOI: 10.7270/Q2QF8X7Z
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50331094
PNG
(4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



"Magna Gr£cia" University of Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111565
BindingDB Entry DOI: 10.7270/Q2QF8X7Z
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50331094
PNG
(4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



"Magna Gr£cia" University of Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111565
BindingDB Entry DOI: 10.7270/Q2QF8X7Z
More data for this
Ligand-Target Pair