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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'zak' and Initial = 'km'   
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
Protein Mdm4


(Homo sapiens (Human))
BDBM50499318
PNG
(CHEMBL3735996)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C30H20Cl2N2O2/c31-20-12-10-18(11-13-20)17-34-25-9-5-4-8-23(25)26(19-6-2-1-3-7-19)29(34)27-22-15-14-21(32)16-24(22)33-28(27)30(35)36/h1-16,33H,17H2,(H,35,36)
PDB
MMDB

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200n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499316
PNG
(CHEMBL3734953)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C30H19Cl2FN2O2/c31-19-9-5-17(6-10-19)16-35-25-4-2-1-3-23(25)26(18-7-12-21(33)13-8-18)29(35)27-22-14-11-20(32)15-24(22)34-28(27)30(36)37/h1-15,34H,16H2,(H,36,37)
PDB
MMDB

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700n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436047
PNG
(CHEMBL1233798)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccccc1 |(-2.71,1.13,;-1.94,2.47,;-2.71,3.8,;-.4,2.47,;.5,3.71,;1.96,3.24,;3.3,4.01,;4.63,3.24,;5.97,4.01,;4.63,1.7,;3.3,.93,;1.96,1.7,;.5,1.22,;.02,-.24,;.93,-1.49,;.02,-2.73,;-1.44,-2.26,;-1.44,-.72,;-2.69,.19,;-4.09,-.44,;-4.25,-1.97,;-5.66,-2.6,;-6.91,-1.69,;-8.31,-2.32,;-6.75,-.16,;-5.34,.47,;2.47,-1.49,;3.24,-.15,;4.78,-.15,;5.55,-1.49,;4.78,-2.82,;3.24,-2.82,)|
Show InChI InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32)
PDB
MMDB

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MMDB
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MMDB
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920n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Mdm4


(Homo sapiens (Human))
BDBM50499316
PNG
(CHEMBL3734953)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C30H19Cl2FN2O2/c31-19-9-5-17(6-10-19)16-35-25-4-2-1-3-23(25)26(18-7-12-21(33)13-8-18)29(35)27-22-14-11-20(32)15-24(22)34-28(27)30(36)37/h1-15,34H,16H2,(H,36,37)
PDB
MMDB

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1.50E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499318
PNG
(CHEMBL3735996)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C30H20Cl2N2O2/c31-20-12-10-18(11-13-20)17-34-25-9-5-4-8-23(25)26(19-6-2-1-3-7-19)29(34)27-22-15-14-21(32)16-24(22)33-28(27)30(35)36/h1-16,33H,17H2,(H,35,36)
PDB
MMDB

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1.80E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499315
PNG
(CHEMBL3735566)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H23Cl2FN2O2/c1-2-39-32(38)30-29(24-16-13-22(34)17-26(24)36-30)31-28(20-9-14-23(35)15-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3
PDB
MMDB

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5.00E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499317
PNG
(CHEMBL3735043)
Show SMILES Clc1ccc(Cn2c(-c3c([nH]c4cc(Cl)ccc34)C(=O)NCCN3CCOCC3)c(-c3ccccc3)c3ccccc23)cc1 |(10.13,5.08,;9.03,4.52,;8.95,2.98,;7.58,2.28,;6.29,3.11,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;4.8,1.11,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.63,-3.92,;11.17,-3.9,;11.92,-2.56,;11.14,-1.23,;9.6,-1.25,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;6.37,4.65,;7.74,5.35,)|
Show InChI InChI=1S/C36H32Cl2N4O2/c37-26-12-10-24(11-13-26)23-42-31-9-5-4-8-29(31)32(25-6-2-1-3-7-25)35(42)33-28-15-14-27(38)22-30(28)40-34(33)36(43)39-16-17-41-18-20-44-21-19-41/h1-15,22,40H,16-21,23H2,(H,39,43)
PDB
MMDB

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6.09E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499315
PNG
(CHEMBL3735566)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H23Cl2FN2O2/c1-2-39-32(38)30-29(24-16-13-22(34)17-26(24)36-30)31-28(20-9-14-23(35)15-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3
PDB
MMDB

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6.70E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499313
PNG
(CHEMBL3735387)
Show SMILES Clc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc23)cc1 |(4.61,-3.43,;4.68,-2.2,;6.05,-1.5,;6.13,.04,;4.84,.87,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.23,3.86,;-.3,3.74,;-1.08,2.41,;-2.62,2.42,;-3.38,3.75,;-2.61,5.08,;-1.07,5.08,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.47,.17,;3.39,-1.36,)|
Show InChI InChI=1S/C29H20Cl2N2/c30-21-12-10-19(11-13-21)18-33-27-9-5-4-8-24(27)28(20-6-2-1-3-7-20)29(33)25-17-32-26-16-22(31)14-15-23(25)26/h1-17,32H,18H2
PDB
MMDB

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1.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499312
PNG
(CHEMBL3735271)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H24Cl2N2O2/c1-2-38-32(37)30-29(24-17-16-23(34)18-26(24)35-30)31-28(21-8-4-3-5-9-21)25-10-6-7-11-27(25)36(31)19-20-12-14-22(33)15-13-20/h3-18,35H,2,19H2,1H3
PDB
MMDB

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1.70E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499314
PNG
(CHEMBL3734842)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H23Cl3N2O2/c1-2-39-32(38)30-29(24-16-15-23(35)17-26(24)36-30)31-28(20-9-13-22(34)14-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3
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>2.20E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50436047
PNG
(CHEMBL1233798)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccccc1 |(-2.71,1.13,;-1.94,2.47,;-2.71,3.8,;-.4,2.47,;.5,3.71,;1.96,3.24,;3.3,4.01,;4.63,3.24,;5.97,4.01,;4.63,1.7,;3.3,.93,;1.96,1.7,;.5,1.22,;.02,-.24,;.93,-1.49,;.02,-2.73,;-1.44,-2.26,;-1.44,-.72,;-2.69,.19,;-4.09,-.44,;-4.25,-1.97,;-5.66,-2.6,;-6.91,-1.69,;-8.31,-2.32,;-6.75,-.16,;-5.34,.47,;2.47,-1.49,;3.24,-.15,;4.78,-.15,;5.55,-1.49,;4.78,-2.82,;3.24,-2.82,)|
Show InChI InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32)
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3.60E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499312
PNG
(CHEMBL3735271)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H24Cl2N2O2/c1-2-38-32(37)30-29(24-17-16-23(34)18-26(24)35-30)31-28(21-8-4-3-5-9-21)25-10-6-7-11-27(25)36(31)19-20-12-14-22(33)15-13-20/h3-18,35H,2,19H2,1H3
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499313
PNG
(CHEMBL3735387)
Show SMILES Clc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc23)cc1 |(4.61,-3.43,;4.68,-2.2,;6.05,-1.5,;6.13,.04,;4.84,.87,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.23,3.86,;-.3,3.74,;-1.08,2.41,;-2.62,2.42,;-3.38,3.75,;-2.61,5.08,;-1.07,5.08,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.47,.17,;3.39,-1.36,)|
Show InChI InChI=1S/C29H20Cl2N2/c30-21-12-10-19(11-13-21)18-33-27-9-5-4-8-24(27)28(20-6-2-1-3-7-20)29(33)25-17-32-26-16-22(31)14-15-23(25)26/h1-17,32H,18H2
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499314
PNG
(CHEMBL3734842)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H23Cl3N2O2/c1-2-39-32(38)30-29(24-16-15-23(35)17-26(24)36-30)31-28(20-9-13-22(34)14-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499317
PNG
(CHEMBL3735043)
Show SMILES Clc1ccc(Cn2c(-c3c([nH]c4cc(Cl)ccc34)C(=O)NCCN3CCOCC3)c(-c3ccccc3)c3ccccc23)cc1 |(10.13,5.08,;9.03,4.52,;8.95,2.98,;7.58,2.28,;6.29,3.11,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;4.8,1.11,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.63,-3.92,;11.17,-3.9,;11.92,-2.56,;11.14,-1.23,;9.6,-1.25,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;6.37,4.65,;7.74,5.35,)|
Show InChI InChI=1S/C36H32Cl2N4O2/c37-26-12-10-24(11-13-26)23-42-31-9-5-4-8-29(31)32(25-6-2-1-3-7-25)35(42)33-28-15-14-27(38)22-30(28)40-34(33)36(43)39-16-17-41-18-20-44-21-19-41/h1-15,22,40H,16-21,23H2,(H,39,43)
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University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239948
PNG
(CHEMBL4071326 | US9850225, Example 1166)
Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239946
PNG
(CHEMBL4084368)
Show SMILES Cc1cc(CN[C@H](CO)C(O)=O)c(OCc2cccc(c2)C#N)cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239942
PNG
(CHEMBL4081869 | US9872852, Example 37)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCNC(C)=O
Show InChI InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30)
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n/an/a 6n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239944
PNG
(CHEMBL4061613 | US9872852, Example 241)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@@H](CO)C(C)C |r|
Show InChI InChI=1S/C28H35NO4/c1-19(2)26(17-30)29-16-25-27(31-4)14-23(15-28(25)32-5)33-18-22-12-9-13-24(20(22)3)21-10-7-6-8-11-21/h6-15,19,26,29-30H,16-18H2,1-5H3/t26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239947
PNG
(CHEMBL4089730 | US20230303494, Compound BMS202 | U...)
Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O
Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
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n/an/a 18n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239945
PNG
(CHEMBL4062686 | US9872852, Example 200)
Show SMILES Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C27H27F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,20,30-31H,7-8,11,13-15H2,1H3,(H,32,33)/t20-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239943
PNG
(CHEMBL4099869 | US9872852, Example 8)
Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1
Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)
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n/an/a 146n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207986
PNG
(3-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-(4...)
Show SMILES OC1(Cc2ccc(F)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12 |c:23|
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n/an/an/a 2.87E+4n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207988
PNG
(5-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-3-(4...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1 |c:14|
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n/an/an/a 1.30E+3n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239942
PNG
(CHEMBL4081869 | US9872852, Example 37)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCNC(C)=O
Show InChI InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30)
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n/an/an/a<1.00E+3n/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21(DE3) by 1H-15N 2D HMQC NMR spectroscopic analysis


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239945
PNG
(CHEMBL4062686 | US9872852, Example 200)
Show SMILES Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C27H27F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,20,30-31H,7-8,11,13-15H2,1H3,(H,32,33)/t20-/m0/s1
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n/an/an/a<1.00E+3n/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21(DE3) by 1H-15N 2D HMQC NMR spectroscopic analysis


J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207989
PNG
(5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14|
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n/an/an/a 7.00E+3n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207987
PNG
(4-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-5-(4...)
Show SMILES OC1(Cc2ccc(F)cc2)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14|
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n/an/an/a 2.60E+4n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207985
PNG
(4,5-di(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14|
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n/an/an/a 1.50E+3n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207984
PNG
(3,5-Di(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12 |c:23|
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n/an/an/a 3.10E+3n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207983
PNG
(N-(4-Chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...)
Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14|
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n/an/an/a 2.10E+3n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207982
PNG
(N-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)- 3-(...)
Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1 |c:14|
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n/an/an/a 2.44E+4n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207981
PNG
(N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1-methyl-1...)
Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1cn(C)c2cc(Cl)ccc12 |t:4|
Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)24-25(17-5-9-19(29)10-6-17)27(34,32(2)26(24)33)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3
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n/an/an/a 3.04E+4n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207980
PNG
(N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1-methyl-1...)
Show SMILES CN1C(=O)C(=C(c2cn(C)c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:4|
Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)25-24(17-5-9-19(29)10-6-17)26(33)32(2)27(25,34)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3
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n/an/an/a 4.05E+4n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207979
PNG
(N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3...)
Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |t:4|
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n/an/an/a 2.77E+4n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207978
PNG
(N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3...)
Show SMILES CN1C(=O)C(=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:4|
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n/an/an/a 1.87E+4n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]


(Homo sapiens (Human))
BDBM207976
PNG
(N-Methyl-3,5-di(4-chlorobenzyl)-4-(6-chloro-1H-ind...)
Show SMILES CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1 |t:13|
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n/an/an/a 500n/an/an/a7.425



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207989
PNG
(5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14|
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n/an/an/a 6.80E+4n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207988
PNG
(5-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-3-(4...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1 |c:14|
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n/an/an/a 6.00E+4n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207986
PNG
(3-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-(4...)
Show SMILES OC1(Cc2ccc(F)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12 |c:23|
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n/an/an/a 1.80E+4n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207985
PNG
(4,5-di(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14|
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n/an/an/a 8.60E+4n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207984
PNG
(3,5-Di(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-...)
Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12 |c:23|
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n/an/an/a<1.00E+3n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207983
PNG
(N-(4-Chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...)
Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14|
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Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207982
PNG
(N-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)- 3-(...)
Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1 |c:14|
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n/an/an/a 1.64E+5n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207981
PNG
(N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1-methyl-1...)
Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1cn(C)c2cc(Cl)ccc12 |t:4|
Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)24-25(17-5-9-19(29)10-6-17)27(34,32(2)26(24)33)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3
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n/an/an/a 2.46E+5n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207980
PNG
(N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1-methyl-1...)
Show SMILES CN1C(=O)C(=C(c2cn(C)c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:4|
Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)25-24(17-5-9-19(29)10-6-17)26(33)32(2)27(25,34)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3
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PC sid
UniChem
Article
PubMed
n/an/an/a 3.65E+5n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207979
PNG
(N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3...)
Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |t:4|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.92E+5n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207978
PNG
(N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3...)
Show SMILES CN1C(=O)C(=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:4|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.10E+4n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118]


(Homo sapiens (Human))
BDBM207976
PNG
(N-Methyl-3,5-di(4-chlorobenzyl)-4-(6-chloro-1H-ind...)
Show SMILES CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1 |t:13|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a<1.00E+3n/an/an/a7.415



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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