BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 7455 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2'   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605126
PNG
(CHEMBL5187340)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCC2CCNCC2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.00200n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50513202
PNG
(CHEMBL4463050)
Show SMILES CC(C)[C@H](N1[C@@H]([C@@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)S(=O)(=O)C(C)C |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-15(2)26(35(33,34)16(3)4)29-24(17-8-10-20(27)11-9-17)22(18-6-5-7-21(28)12-18)13-19(25(29)32)14-23(30)31/h5-12,15-16,19,22,24,26H,13-14H2,1-4H3,(H,30,31)/t19-,22+,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0450n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of p53 protein binding to MDM2 in human SJSA1 cells


Eur J Med Chem 176: 92-104 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.018
BindingDB Entry DOI: 10.7270/Q2V12851
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069799
PNG
(CHEMBL3407579 | US9187441, 7M)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)c(F)c(F)c1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
0.130 -55.5n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192221
PNG
(US9187441, 7K)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.150 -55.1n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50041086
PNG
(CHEMBL3355430)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1 |r|
Show InChI InChI=1S/C30H26Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-12,15,23,25,36H,1-3,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192225
PNG
(US9187441, 7P)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)cc(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.170 -54.8n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192217
PNG
(US9187441, 7G)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cccc(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.200 -54.4n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM129823
PNG
(US8815926, 102)
Show SMILES COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1 |r|
Show InChI InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



International Institute for Translational Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin)


Eur J Med Chem 159: 1-9 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.044
BindingDB Entry DOI: 10.7270/Q2SB48FV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192155
PNG
(US9187441, 7E)
Show SMILES CCOC(=O)c1c(C(N(Cc2ccccc2)C(C)=O)C(=O)NC2CCCCC2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40ClN3O6/c1-6-42-31(40)29-27(25-18-17-23(34)19-26(25)37(29)32(41)43-33(3,4)5)28(30(39)35-24-15-11-8-12-16-24)36(21(2)38)20-22-13-9-7-10-14-22/h7,9-10,13-14,17-19,24,28H,6,8,11-12,15-16,20H2,1-5H3,(H,35,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.25 -53.9n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192161
PNG
(US9187441, 7I)
Show SMILES CCOC(=O)c1c(C(N(Cc2ccccc2)C=O)C(=O)NC2CCCCC2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H38ClN3O6/c1-5-41-30(39)28-26(24-17-16-22(33)18-25(24)36(28)31(40)42-32(2,3)4)27(29(38)34-23-14-10-7-11-15-23)35(20-37)19-21-12-8-6-9-13-21/h6,8-9,12-13,16-18,20,23,27H,5,7,10-11,14-15,19H2,1-4H3,(H,34,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.300 -53.4n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192204
PNG
(US9187441, 6M)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cc(F)c(F)c(F)c1)C=O)C(=O)NC(C)(C)C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.400 -52.7n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50513204
PNG
(CHEMBL4537250)
Show SMILES CC(C)(C)C[C@H]1NC([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@](C)(O)C1 |r,wU:33.38,17.29,31.34,8.8,wD:5.4,(55.7,-19.72,;54.25,-19.21,;53.96,-17.7,;55.33,-18.11,;53.08,-20.22,;51.63,-19.71,;51.18,-18.23,;49.64,-18.2,;49.13,-19.66,;47.62,-19.35,;47.13,-17.89,;45.63,-17.58,;44.6,-18.74,;45.1,-20.2,;44.09,-21.36,;46.61,-20.5,;45.83,-21.82,;50.36,-20.59,;51.61,-21.5,;53.08,-21.03,;51.13,-22.97,;49.59,-22.97,;48.57,-24.1,;47.07,-23.79,;46.05,-24.94,;46.59,-22.32,;47.62,-21.19,;49.12,-21.51,;49.2,-16.72,;47.7,-16.36,;50.26,-15.6,;51.76,-15.96,;53.06,-15.15,;53.86,-16.46,;54.95,-15.36,;55.36,-16.85,;52.56,-17.27,)|
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21+,23?,27+,28+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of wild type p53 protein binding to MDM2 in human HCT116 cells by immunoblot analysis


Eur J Med Chem 176: 92-104 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.018
BindingDB Entry DOI: 10.7270/Q2V12851
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436682
PNG
(CHEMBL2396674)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@](C)(O)C1 |r,wU:33.38,17.19,8.8,31.34,5.4,wD:33.37,7.31,(42.41,-31.09,;41.21,-30.13,;41.45,-28.61,;42.69,-29.73,;39.78,-30.69,;38.58,-29.72,;38.65,-28.19,;37.21,-27.64,;36.25,-28.84,;34.91,-28.07,;33.58,-28.84,;32.23,-28.08,;32.23,-26.52,;33.57,-25.75,;33.56,-24.21,;34.91,-26.52,;34.9,-24.97,;37.09,-30.13,;38,-31.39,;39.54,-31.39,;37.09,-32.64,;35.61,-32.16,;34.28,-32.93,;32.95,-32.16,;31.61,-32.93,;32.95,-30.62,;34.28,-29.85,;35.61,-30.61,;37.21,-26.1,;35.88,-25.33,;38.55,-25.33,;40.09,-25.32,;41.18,-24.24,;42.26,-25.32,;43.59,-24.55,;43.6,-26.09,;41.19,-26.42,)|
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27+,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

0.440n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436682
PNG
(CHEMBL2396674)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@](C)(O)C1 |r,wU:33.38,17.19,8.8,31.34,5.4,wD:33.37,7.31,(42.41,-31.09,;41.21,-30.13,;41.45,-28.61,;42.69,-29.73,;39.78,-30.69,;38.58,-29.72,;38.65,-28.19,;37.21,-27.64,;36.25,-28.84,;34.91,-28.07,;33.58,-28.84,;32.23,-28.08,;32.23,-26.52,;33.57,-25.75,;33.56,-24.21,;34.91,-26.52,;34.9,-24.97,;37.09,-30.13,;38,-31.39,;39.54,-31.39,;37.09,-32.64,;35.61,-32.16,;34.28,-32.93,;32.95,-32.16,;31.61,-32.93,;32.95,-30.62,;34.28,-29.85,;35.61,-30.61,;37.21,-26.1,;35.88,-25.33,;38.55,-25.33,;40.09,-25.32,;41.18,-24.24,;42.26,-25.32,;43.59,-24.55,;43.6,-26.09,;41.19,-26.42,)|
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27+,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.440n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50513204
PNG
(CHEMBL4537250)
Show SMILES CC(C)(C)C[C@H]1NC([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@](C)(O)C1 |r,wU:33.38,17.29,31.34,8.8,wD:5.4,(55.7,-19.72,;54.25,-19.21,;53.96,-17.7,;55.33,-18.11,;53.08,-20.22,;51.63,-19.71,;51.18,-18.23,;49.64,-18.2,;49.13,-19.66,;47.62,-19.35,;47.13,-17.89,;45.63,-17.58,;44.6,-18.74,;45.1,-20.2,;44.09,-21.36,;46.61,-20.5,;45.83,-21.82,;50.36,-20.59,;51.61,-21.5,;53.08,-21.03,;51.13,-22.97,;49.59,-22.97,;48.57,-24.1,;47.07,-23.79,;46.05,-24.94,;46.59,-22.32,;47.62,-21.19,;49.12,-21.51,;49.2,-16.72,;47.7,-16.36,;50.26,-15.6,;51.76,-15.96,;53.06,-15.15,;53.86,-16.46,;54.95,-15.36,;55.36,-16.85,;52.56,-17.27,)|
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21+,23?,27+,28+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of p53 protein binding to MDM2 (unknown origin) by western blot analysis


Eur J Med Chem 176: 92-104 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.018
BindingDB Entry DOI: 10.7270/Q2V12851
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192213
PNG
(US9187441, 7B)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.450 -52.5n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605132
PNG
(CHEMBL5171665)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNS(=O)(=O)c2ccccc2C(O)=O)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192196
PNG
(US9187441, 6E)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(F)c(F)c1)C=O)C(=O)NC(C)(C)C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.5 -52.2n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50300114
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC[C@H](O)CO |r|
Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37)/t15-,20+,21-,23+,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50513202
PNG
(CHEMBL4463050)
Show SMILES CC(C)[C@H](N1[C@@H]([C@@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)S(=O)(=O)C(C)C |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-15(2)26(35(33,34)16(3)4)29-24(17-8-10-20(27)11-9-17)22(18-6-5-7-21(28)12-18)13-19(25(29)32)14-23(30)31/h5-12,15-16,19,22,24,26H,13-14H2,1-4H3,(H,30,31)/t19-,22+,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of p53 protein binding to MDM2 (unknown origin)


Eur J Med Chem 176: 92-104 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.018
BindingDB Entry DOI: 10.7270/Q2V12851
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436688
PNG
(CHEMBL2398473)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@H](O)C1 |r,wU:17.19,8.8,31.34,5.4,wD:7.31,33.37,(42.17,-8.02,;40.97,-7.05,;41.2,-5.53,;42.45,-6.65,;39.53,-7.61,;38.33,-6.65,;38.41,-5.11,;36.97,-4.56,;36.01,-5.76,;34.66,-4.99,;33.33,-5.77,;31.99,-5.01,;31.98,-3.45,;33.32,-2.67,;33.32,-1.13,;34.66,-3.44,;34.66,-1.9,;36.85,-7.05,;37.76,-8.31,;39.3,-8.31,;36.85,-9.57,;35.37,-9.09,;34.04,-9.86,;32.71,-9.09,;31.37,-9.86,;32.71,-7.54,;34.04,-6.77,;35.37,-7.54,;36.97,-3.02,;35.64,-2.25,;38.31,-2.26,;39.64,-3.03,;41.12,-2.65,;41.52,-4.14,;42.85,-4.91,;40.03,-4.53,)|
Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15-,20-,21-,23+,27+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.610n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436681
PNG
(CHEMBL2398479)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@H](C1)NS(C)(=O)=O |r,wU:17.19,8.8,31.34,5.4,wD:7.31,33.39,(12.69,-41.86,;11.49,-40.9,;11.72,-39.38,;12.96,-40.5,;10.05,-41.46,;8.85,-40.49,;8.93,-38.96,;7.48,-38.41,;6.52,-39.61,;5.18,-38.84,;3.85,-39.62,;2.51,-38.85,;2.5,-37.3,;3.84,-36.52,;3.84,-34.98,;5.18,-37.29,;5.17,-35.74,;7.37,-40.9,;8.28,-42.16,;9.82,-42.16,;7.36,-43.41,;5.89,-42.93,;4.56,-43.71,;3.22,-42.93,;1.89,-43.7,;3.22,-41.39,;4.55,-40.62,;5.89,-41.38,;7.49,-36.87,;6.16,-36.1,;8.83,-36.11,;10.16,-36.88,;11.64,-36.5,;12.03,-37.98,;10.54,-38.38,;13.36,-38.76,;14.7,-37.99,;14.71,-36.45,;16.24,-37.99,;15.47,-39.33,)|
Show InChI InChI=1S/C28H33Cl2FN4O4S/c1-27(2,3)13-21-28(18-9-8-14(29)10-20(18)33-26(28)37)22(17-6-5-7-19(30)23(17)31)24(34-21)25(36)32-15-11-16(12-15)35-40(4,38)39/h5-10,15-16,21-22,24,34-35H,11-13H2,1-4H3,(H,32,36)(H,33,37)/t15-,16-,21-,22-,24+,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.620n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436685
PNG
(CHEMBL2398476)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-27(2,3)13-21-28(18-10-7-14(29)11-20(18)33-26(28)37)22(17-5-4-6-19(30)23(17)31)24(34-21)25(36)32-15-8-9-16(35)12-15/h4-7,10-11,15-16,21-22,24,34-35H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37)/t15-,16-,21-,22-,24+,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.620n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192228
PNG
(US9187441, 7S)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)c(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.700 -51.4n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50605125
PNG
(CHEMBL5197279)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](CNCc2cnc[nH]2)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00095
BindingDB Entry DOI: 10.7270/Q2V69PP3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50300115
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES COCCOCCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
Show InChI InChI=1S/C28H34Cl2FN3O4/c1-27(2,3)15-21-28(18-9-8-16(29)14-20(18)33-26(28)36)22(17-6-5-7-19(30)23(17)31)24(34-21)25(35)32-10-11-38-13-12-37-4/h5-9,14,21-22,24,34H,10-13,15H2,1-4H3,(H,32,35)(H,33,36)/t21-,22+,24-,28+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM192151
PNG
(US9187441, 7C)
Show SMILES CCOC(=O)c1c(C(N(CC(C)C)C(C)=O)C(=O)NCc2ccccc2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H38ClN3O6/c1-8-40-29(38)27-25(23-15-14-22(32)16-24(23)35(27)30(39)41-31(5,6)7)26(34(20(4)36)18-19(2)3)28(37)33-17-21-12-10-9-11-13-21/h9-16,19,26H,8,17-18H2,1-7H3,(H,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.810 -51.0n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436689
PNG
(CHEMBL2398472)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC[C@H](O)CO |r|
Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37)/t15-,20-,21-,23+,27+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.860n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.880n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human His6-tagged HDM2 (1 to 118 residues) assessed as reduction in PMDM6-F binding incubated for 15 to 30 mins by fl...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01524
BindingDB Entry DOI: 10.7270/Q2Z03D1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.880n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAM tagged p53-based peptide binding to recombinant human His-tagged MDM2 protein (residues 1 to 118 residues) incubated for 15 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00829
BindingDB Entry DOI: 10.7270/Q22J6GHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50513209
PNG
(CHEMBL4440151)
Show SMILES CC(C)(C)C[C@H]1NC([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:17.29,8.8,31.34,wD:5.4,34.38,(26.42,-21.67,;26.71,-23.19,;27.79,-22.08,;28.16,-23.69,;25.54,-24.19,;24.09,-23.68,;23.64,-22.2,;22.09,-22.17,;21.58,-23.63,;20.07,-23.32,;19.59,-21.85,;18.08,-21.55,;17.05,-22.71,;17.55,-24.18,;16.53,-25.33,;19.06,-24.48,;18.28,-25.8,;22.81,-24.57,;24.07,-25.48,;25.53,-25,;23.58,-26.94,;22.04,-26.94,;21.02,-28.08,;19.52,-27.77,;18.49,-28.92,;19.04,-26.31,;20.07,-25.16,;21.57,-25.48,;21.65,-20.69,;20.15,-20.33,;22.71,-19.57,;22.28,-18.1,;20.79,-17.74,;20.37,-16.26,;21.43,-15.16,;21,-13.68,;22.92,-15.53,;23.35,-16.99,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23+,25?,29+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
0.880n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of p53 protein binding to MDM2 (unknown origin) by western blot analysis


Eur J Med Chem 176: 92-104 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.018
BindingDB Entry DOI: 10.7270/Q2V12851
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.880n/an/an/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center for Biotherapy

Curated by ChEMBL


Assay Description
Inhibition of PMDM6-F binding to recombinant human His-tagged MDM2 (1 to 118 residues) after 15 mins by fluorescence polarization assay


Eur J Med Chem 126: 1071-1082 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.021
BindingDB Entry DOI: 10.7270/Q2JW8H51
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.880n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (unknown origin)


Eur J Med Chem 176: 476-491 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.046
BindingDB Entry DOI: 10.7270/Q22J6G6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.880n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (unknown origin)


J Med Chem 58: 1038-52 (2015)


Article DOI: 10.1021/jm501092z
BindingDB Entry DOI: 10.7270/Q21G0NZ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.880n/an/an/an/an/an/an/an/a



JSS Academy of Higher Education and Research

Curated by ChEMBL


Assay Description
Inhibition of FAM-tagged p53-based fluorescent probe binding to human His-tagged MDM2 (1 to 118 residues) after 15 mins by fluorescence polarization ...


Eur J Med Chem 158: 7-24 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.099
BindingDB Entry DOI: 10.7270/Q28G8PC5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.880n/an/an/an/an/an/an/an/a



International Institute for Translational Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin)


Eur J Med Chem 159: 1-9 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.044
BindingDB Entry DOI: 10.7270/Q2SB48FV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50542271
PNG
(CHEMBL4639742)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:17.29,5.4,31.34,8.8,wD:7.31,34.38,(46.22,-17.82,;44.89,-17.05,;44.89,-15.51,;46.22,-16.28,;43.55,-17.82,;42.22,-17.05,;42.22,-15.51,;40.73,-15.11,;39.89,-16.41,;38.56,-15.63,;37.23,-16.41,;35.9,-15.63,;35.9,-14.09,;37.22,-13.33,;37.22,-11.79,;38.56,-14.09,;39.89,-14.86,;40.87,-17.6,;41.77,-18.84,;43.31,-18.84,;40.87,-20.09,;39.39,-19.62,;38.07,-20.38,;36.74,-19.63,;35.41,-20.39,;36.74,-18.08,;38.07,-17.3,;39.39,-18.07,;40.34,-13.62,;38.85,-13.23,;41.42,-12.53,;41.03,-11.05,;39.54,-10.65,;39.14,-9.16,;40.23,-8.07,;39.83,-6.6,;41.72,-8.47,;42.11,-9.96,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin)


J Med Chem 63: 7957-7985 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01451
BindingDB Entry DOI: 10.7270/Q2QN6BBK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436686
PNG
(CHEMBL2398475)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-27(2,3)13-21-28(18-10-7-14(29)11-20(18)33-26(28)37)22(17-5-4-6-19(30)23(17)31)24(34-21)25(36)32-15-8-9-16(35)12-15/h4-7,10-11,15-16,21-22,24,34-35H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37)/t15-,16+,21-,22-,24+,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.940n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436683
PNG
(CHEMBL2398478)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@](C)(O)C1 |r,wU:33.37,17.19,8.8,31.34,5.4,wD:33.38,7.31,(28.66,-31.03,;27.45,-30.07,;27.69,-28.55,;28.93,-29.66,;26.02,-30.63,;24.82,-29.66,;24.89,-28.12,;23.45,-27.58,;22.49,-28.78,;21.15,-28.01,;19.82,-28.78,;18.48,-28.02,;18.47,-26.46,;19.81,-25.69,;19.81,-24.15,;21.15,-26.46,;21.14,-24.91,;23.33,-30.07,;24.24,-31.33,;25.78,-31.33,;23.33,-32.58,;21.86,-32.1,;20.52,-32.87,;19.19,-32.1,;17.86,-32.87,;19.19,-30.56,;20.52,-29.79,;21.86,-30.55,;23.46,-26.04,;22.13,-25.26,;24.79,-25.27,;26.33,-25.26,;27.42,-24.18,;28.5,-25.26,;29.83,-24.48,;29.84,-26.02,;27.43,-26.36,)|
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27-,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.970n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM112737
PNG
(US8629141, 4)
Show SMILES O[C@H]1CCC(CC1)NC(=O)[C@@H]1NC2(CCCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:19.32,20.23,wD:10.10,1.0,(6.05,1.99,;4.57,2.39,;4.17,3.87,;2.68,4.27,;1.59,3.18,;1.99,1.7,;3.48,1.3,;.1,3.58,;-.99,2.49,;-2.47,2.89,;-.59,1.01,;.88,.53,;.88,-1.01,;2.37,-.7,;3.47,.45,;4.8,-.32,;4.64,-1.47,;3.31,-.7,;2.21,-1.78,;-.59,-1.49,;-1.49,-.24,;-2.98,.16,;-4.07,-.93,;-5.56,-.53,;-5.96,.96,;-4.87,2.04,;-5.26,3.53,;-3.38,1.65,;-3.78,3.13,;.32,-2.73,;1.86,-2.73,;-.59,-3.98,;-2.05,-3.5,;-3.39,-4.27,;-4.72,-3.5,;-6.05,-4.27,;-4.72,-1.96,;-3.39,-1.19,;-2.05,-1.96,)|
Show InChI InChI=1S/C30H34Cl2FN3O3/c31-17-8-13-21-23(16-17)35-28(39)30(21)24(20-6-5-7-22(32)25(20)33)26(36-29(30)14-3-1-2-4-15-29)27(38)34-18-9-11-19(37)12-10-18/h5-8,13,16,18-19,24,26,36-37H,1-4,9-12,14-15H2,(H,34,38)(H,35,39)/t18?,19-,24-,26+,30+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1n/a 15.6n/an/an/an/an/an/a



The Regents of the University of Michigan; Sanofi

US Patent


Assay Description
The binding affinity of the MDM2 inhibitors disclosed herein was determined using a fluorescence polarization-based (FP-based) binding assay using a ...


US Patent US8629141 (2014)


BindingDB Entry DOI: 10.7270/Q2W094KC
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM112773
PNG
(US8629141, 43)
Show SMILES OC(=O)c1cccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)c1 |r|
Show InChI InChI=1S/C30H26Cl2FN3O4/c31-17-10-11-20-22(15-17)35-28(40)30(20)23(19-8-5-9-21(32)24(19)33)25(36-29(30)12-2-1-3-13-29)26(37)34-18-7-4-6-16(14-18)27(38)39/h4-11,14-15,23,25,36H,1-3,12-13H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237744
PNG
(CHEMBL4072857)
Show SMILES OC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
Show InChI InChI=1S/C32H34Cl2FN3O4/c33-18-7-8-20-22(17-18)36-27(40)32(20)23(19-5-4-6-21(34)24(19)35)25(37-31(32)9-2-1-3-10-31)26(39)38-30-14-11-29(12-15-30,13-16-30)28(41)42/h4-8,17,23,25,37H,1-3,9-16H2,(H,36,40)(H,38,39)(H,41,42)/t23-,25+,29?,30?,32+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237764
PNG
(CHEMBL4060006)
Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(CC(O)=O)cs1 |r|
Show InChI InChI=1S/C28H26Cl2FN3O3S/c1-34-24(25-32-16(14-38-25)13-21(35)36)22(17-6-5-7-19(30)23(17)31)28(27(34)10-3-2-4-11-27)18-9-8-15(29)12-20(18)33-26(28)37/h5-9,12,14,22,24H,2-4,10-11,13H2,1H3,(H,33,37)(H,35,36)/t22-,24+,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237734
PNG
(CHEMBL4098834)
Show SMILES CS(=O)(=O)NC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
Show InChI InChI=1S/C33H37Cl2FN4O5S/c1-46(44,45)40-28(42)30-12-15-31(16-13-30,17-14-30)39-27(41)26-24(20-6-5-7-22(35)25(20)36)33(32(38-26)10-3-2-4-11-32)21-9-8-19(34)18-23(21)37-29(33)43/h5-9,18,24,26,38H,2-4,10-17H2,1H3,(H,37,43)(H,39,41)(H,40,42)/t24-,26+,30?,31?,33+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237766
PNG
(CHEMBL4085815)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1 |r|
Show InChI InChI=1S/C31H29Cl2FN4O5S/c1-44(42,43)38-27(39)17-8-11-19(12-9-17)35-28(40)26-24(20-6-5-7-22(33)25(20)34)31(30(37-26)14-3-2-4-15-30)21-13-10-18(32)16-23(21)36-29(31)41/h5-13,16,24,26,37H,2-4,14-15H2,1H3,(H,35,40)(H,36,41)(H,38,39)/t24-,26+,31+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237763
PNG
(CHEMBL4084366)
Show SMILES OC(=O)[C@H]1C[C@@H](C1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:18.31,19.22,5.7,wD:10.10,3.2,(15.44,-35.61,;15.03,-34.13,;16.12,-33.04,;13.55,-33.74,;12.87,-32.36,;11.49,-33.04,;12.17,-34.42,;10.03,-32.55,;8.88,-33.57,;7.45,-33,;9.26,-35.06,;10.7,-35.61,;10.62,-37.14,;11.02,-38.62,;12.5,-39.02,;13.59,-37.94,;13.19,-36.45,;11.7,-36.05,;9.14,-37.55,;8.2,-36.29,;6.86,-34.77,;6.56,-33.25,;5.11,-32.75,;3.95,-33.76,;4.24,-35.28,;3.08,-36.29,;5.7,-35.78,;7.38,-36.76,;10.05,-38.8,;11.46,-39.96,;9.15,-40.06,;7.67,-39.59,;6.33,-40.36,;5,-39.59,;3.66,-40.36,;5,-38.05,;6.33,-37.28,;7.66,-38.04,)|
Show InChI InChI=1S/C28H28Cl2FN3O4/c29-15-7-8-18-20(13-15)33-26(38)28(18)21(17-5-4-6-19(30)22(17)31)23(34-27(28)9-2-1-3-10-27)24(35)32-16-11-14(12-16)25(36)37/h4-8,13-14,16,21,23,34H,1-3,9-12H2,(H,32,35)(H,33,38)(H,36,37)/t14-,16-,21-,23+,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237739
PNG
(CHEMBL4091801)
Show SMILES CCN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)C(=O)NC12CCC(CC1)(CC2)C(O)=O |r|
Show InChI InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50236827
PNG
(CHEMBL4066694)
Show SMILES COc1cc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)ccc1C(O)=O |r|
Show InChI InChI=1S/C31H28Cl2FN3O5/c1-42-23-15-17(9-10-18(23)28(39)40)35-27(38)26-24(19-6-5-7-21(33)25(19)34)31(30(37-26)12-3-2-4-13-30)20-11-8-16(32)14-22(20)36-29(31)41/h5-11,14-15,24,26,37H,2-4,12-13H2,1H3,(H,35,38)(H,36,41)(H,39,40)/t24-,26+,31+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237745
PNG
(CHEMBL4064790)
Show SMILES CC1(C)CCC2(CC1)N[C@H]([C@H](c1cccc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:19.22,10.11,33.37,wD:9.34,36.41,(71.57,-7.52,;70.08,-7.92,;71.18,-9.01,;68.99,-9.01,;67.52,-8.61,;67.12,-7.13,;68.2,-6.04,;69.69,-6.44,;67.2,-5.6,;65.76,-5.05,;64.7,-6.28,;63.36,-4.76,;63.06,-3.24,;61.61,-2.75,;60.45,-3.75,;60.74,-5.27,;59.58,-6.28,;62.2,-5.77,;63.88,-6.76,;65.64,-7.54,;66.55,-8.79,;67.96,-9.95,;65.65,-10.05,;64.17,-9.58,;62.83,-10.35,;61.5,-9.58,;60.16,-10.35,;61.5,-8.04,;62.83,-7.27,;64.16,-8.03,;65.35,-3.57,;63.87,-3.17,;66.44,-2.47,;67.93,-2.87,;69,-1.77,;70.49,-2.17,;70.89,-3.66,;72.38,-4.05,;69.8,-4.74,;68.32,-4.35,)|
Show InChI InChI=1S/C31H36Cl2FN3O3/c1-29(2)12-14-30(15-13-29)31(21-11-6-17(32)16-23(21)36-28(31)40)24(20-4-3-5-22(33)25(20)34)26(37-30)27(39)35-18-7-9-19(38)10-8-18/h3-6,11,16,18-19,24,26,37-38H,7-10,12-15H2,1-2H3,(H,35,39)(H,36,40)/t18-,19-,24-,26+,31+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50237759
PNG
(CHEMBL4064410)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:20.33,21.24,6.9,wD:12.12,3.2,(33.7,-7.1,;33.4,-5.59,;34.56,-4.57,;31.94,-5.09,;31.64,-3.58,;30.18,-3.08,;29.04,-4.09,;29.33,-5.61,;30.78,-6.1,;27.58,-3.6,;26.42,-4.62,;24.99,-4.05,;26.8,-6.11,;28.24,-6.65,;28.17,-8.19,;28.56,-9.67,;30.04,-10.07,;31.13,-8.99,;30.73,-7.5,;29.25,-7.1,;26.68,-8.6,;25.75,-7.34,;24.41,-5.82,;24.11,-4.3,;22.65,-3.8,;21.49,-4.81,;21.79,-6.33,;20.62,-7.34,;23.24,-6.83,;24.93,-7.81,;27.6,-9.85,;29,-11.01,;26.69,-11.11,;25.22,-10.64,;23.87,-11.41,;22.54,-10.64,;21.21,-11.41,;22.54,-9.1,;23.87,-8.33,;25.21,-9.09,)|
Show InChI InChI=1S/C30H32Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-6,9,12,15-16,18,23,25,36H,1-3,7-8,10-11,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t16-,18-,23-,25+,30+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


J Med Chem 60: 2819-2839 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01665
BindingDB Entry DOI: 10.7270/Q25Q4ZCF
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 7455 total )  |  Next  |  Last  >>
Jump to: