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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'fanfrlík' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104024
PNG
(MK315)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1F
Show InChI InChI=1S/C16H12ClFINO4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8H2,(H,20,23)(H,21,22)
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Article
PubMed
n/an/a 190n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104022
PNG
(MK319)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F
Show InChI InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
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n/an/a 300n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16238
PNG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F
Show InChI InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)
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Article
PubMed
n/an/a 400n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104020
PNG
(MK181)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)
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n/an/a 710n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104021
PNG
(MK408)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C16H11BrClF2NO4/c17-8-3-12(19)11(13(20)4-8)6-21-16(24)10-2-1-9(18)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
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PubMed
n/an/a 1.19E+3n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104025
PNG
(MK409)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(I)cc1F
Show InChI InChI=1S/C16H11ClF2INO4/c17-8-1-2-10(14(3-8)25-7-15(22)23)16(24)21-6-11-12(18)4-9(20)5-13(11)19/h1-5H,6-7H2,(H,21,24)(H,22,23)
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PubMed
n/an/a 1.36E+3n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104023
PNG
(MK257)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1
Show InChI InChI=1S/C16H13ClINO4/c17-11-3-6-13(14(7-11)23-9-15(20)21)16(22)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,22)(H,20,21)
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PubMed
n/an/a 1.90E+3n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)