Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50007839 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50513202
(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
| 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513204
(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
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513204
(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
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513202
(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
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513209
(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
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513205
(CHEMBL4437666)Show SMILES Fc1cccc(F)c1N[C@@]1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C21H14Cl2F2N2O/c22-13-4-1-3-12(9-13)11-21(27-19-16(24)5-2-6-17(19)25)15-8-7-14(23)10-18(15)26-20(21)28/h1-10,27H,11H2,(H,26,28)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513206
(CHEMBL4546186)Show SMILES CC(C)C[C@H](N[C@H](C(=O)NCc1ccccc1)c1c([nH]c2cc(Cl)ccc12)C(=O)NO)C(=O)NO |r| Show InChI InChI=1S/C24H28ClN5O5/c1-13(2)10-18(22(31)29-34)28-20(23(32)26-12-14-6-4-3-5-7-14)19-16-9-8-15(25)11-17(16)27-21(19)24(33)30-35/h3-9,11,13,18,20,27-28,34-35H,10,12H2,1-2H3,(H,26,32)(H,29,31)(H,30,33)/t18-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM31196
(spiro-oxindole, 1)Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50300119
((2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-N-((...)Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)c(F)cc12)C(=O)NCC[C@@H](O)CO |r| Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-21-27(17-10-19(30)18(29)11-20(17)32-25(27)37)22(14-5-4-6-15(28)9-14)23(33-21)24(36)31-8-7-16(35)13-34/h4-6,9-11,16,21-23,33-35H,7-8,12-13H2,1-3H3,(H,31,36)(H,32,37)/t16-,21-,22+,23-,27+/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
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50300119
((2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-N-((...)Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)c(F)cc12)C(=O)NCC[C@@H](O)CO |r| Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-21-27(17-10-19(30)18(29)11-20(17)32-25(27)37)22(14-5-4-6-15(28)9-14)23(33-21)24(36)31-8-7-16(35)13-34/h4-6,9-11,16,21-23,33-35H,7-8,12-13H2,1-3H3,(H,31,36)(H,32,37)/t16-,21-,22+,23-,27+/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
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50420273
(CHEMBL2089208)Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2ccc(F)cc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl2FN2O3S/c1-32-24(31)21(14-4-8-16(26)9-5-14)29-20(13-2-6-15(25)7-3-13)22(33)28-19-11-10-17(27)12-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50420268
(CHEMBL2089203)Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(ccc2C1=O)C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17Cl2F3N2O3S/c1-35-24(34)21(14-4-9-17(27)10-5-14)32-20(13-2-7-16(26)8-3-13)22(36)31-19-12-15(25(28,29)30)6-11-18(19)23(32)33/h2-12,20-21H,1H3,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50339398
((+)-R-3-(4-Chlorophenyl)-3-(1-hydroxymethylcyclopr...)Show SMILES OCC1(CO[C@]2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc23)c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C26H23ClN2O5/c27-20-9-7-19(8-10-20)26(34-17-25(16-30)13-14-25)23-4-2-1-3-22(23)24(31)28(26)15-18-5-11-21(12-6-18)29(32)33/h1-12,30H,13-17H2/t26-/m1/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
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513207
(CHEMBL4566706)Show SMILES CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C23H23Cl2N3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-6-14(24)7-5-13)18-16-9-8-15(25)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513201
(CHEMBL4447592)Show SMILES CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM31196
(spiro-oxindole, 1)Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513200
(CHEMBL4514512)Show SMILES COc1cc2CC(=O)N([C@@H](c3ccccc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:32.35,wD:9.9,35.42,(19.45,-7.98,;18.11,-7.22,;16.78,-7.99,;15.45,-7.23,;14.13,-8,;12.8,-7.22,;11.47,-8,;10.14,-7.23,;11.47,-9.54,;12.8,-10.3,;12.8,-11.83,;11.47,-12.61,;11.47,-14.14,;12.8,-14.91,;14.14,-14.13,;14.13,-12.6,;14.13,-9.53,;15.46,-10.3,;16.79,-9.53,;18.12,-10.3,;18.12,-11.84,;19.46,-12.61,;16.79,-12.61,;10.14,-10.31,;8.81,-9.54,;7.47,-10.31,;7.48,-11.85,;8.82,-12.62,;10.15,-11.84,;6.14,-12.62,;6.15,-14.16,;4.81,-11.86,;4.8,-10.32,;3.46,-9.55,;3.47,-8.01,;4.8,-7.24,;6.13,-8.01,;6.13,-9.55,;4.8,-5.69,;3.47,-4.93,;3.48,-3.38,;4.82,-2.62,;4.83,-1.08,;6.15,-3.39,;7.48,-2.63,;6.14,-4.93,)| Show InChI InChI=1S/C38H48N4O4/c1-26(2)46-35-23-33-29(21-34(35)45-5)22-36(43)42(38(33)28-9-7-6-8-10-28)32-17-15-30(16-18-32)40(4)24-27-11-13-31(14-12-27)41-20-19-39(3)37(44)25-41/h6-10,15-18,21,23,26-27,31,38H,11-14,19-20,22,24-25H2,1-5H3/t27-,31-,38-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513203
(CHEMBL4539285)Show SMILES CC[C@H]([C@@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20-,21-,23-,25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513211
(CHEMBL4548050)Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC2(CC2)NC[C@@H]1C |r,t:3,6| Show InChI InChI=1S/C34H37Cl2F2N5O2S/c1-18(2)27-28(31(45)41-16-23(37)14-26(41)30(44)42-17-34(11-12-34)39-15-19(42)3)46-32-40-33(4,21-6-8-22(35)9-7-21)29(43(27)32)20-5-10-24(36)25(38)13-20/h5-10,13,18-19,23,26,29,39H,11-12,14-17H2,1-4H3/t19-,23+,26-,29+,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513206
(CHEMBL4546186)Show SMILES CC(C)C[C@H](N[C@H](C(=O)NCc1ccccc1)c1c([nH]c2cc(Cl)ccc12)C(=O)NO)C(=O)NO |r| Show InChI InChI=1S/C24H28ClN5O5/c1-13(2)10-18(22(31)29-34)28-20(23(32)26-12-14-6-4-3-5-7-14)19-16-9-8-15(25)11-17(16)27-21(19)24(33)30-35/h3-9,11,13,18,20,27-28,34-35H,10,12H2,1-2H3,(H,26,32)(H,29,31)(H,30,33)/t18-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of 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)) | BDBM50513205
(CHEMBL4437666)Show SMILES Fc1cccc(F)c1N[C@@]1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C21H14Cl2F2N2O/c22-13-4-1-3-12(9-13)11-21(27-19-16(24)5-2-6-17(19)25)15-8-7-14(23)10-18(15)26-20(21)28/h1-10,27H,11H2,(H,26,28)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of 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 | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50513200
(CHEMBL4514512)Show SMILES COc1cc2CC(=O)N([C@@H](c3ccccc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:32.35,wD:9.9,35.42,(19.45,-7.98,;18.11,-7.22,;16.78,-7.99,;15.45,-7.23,;14.13,-8,;12.8,-7.22,;11.47,-8,;10.14,-7.23,;11.47,-9.54,;12.8,-10.3,;12.8,-11.83,;11.47,-12.61,;11.47,-14.14,;12.8,-14.91,;14.14,-14.13,;14.13,-12.6,;14.13,-9.53,;15.46,-10.3,;16.79,-9.53,;18.12,-10.3,;18.12,-11.84,;19.46,-12.61,;16.79,-12.61,;10.14,-10.31,;8.81,-9.54,;7.47,-10.31,;7.48,-11.85,;8.82,-12.62,;10.15,-11.84,;6.14,-12.62,;6.15,-14.16,;4.81,-11.86,;4.8,-10.32,;3.46,-9.55,;3.47,-8.01,;4.8,-7.24,;6.13,-8.01,;6.13,-9.55,;4.8,-5.69,;3.47,-4.93,;3.48,-3.38,;4.82,-2.62,;4.83,-1.08,;6.15,-3.39,;7.48,-2.63,;6.14,-4.93,)| Show InChI InChI=1S/C38H48N4O4/c1-26(2)46-35-23-33-29(21-34(35)45-5)22-36(43)42(38(33)28-9-7-6-8-10-28)32-17-15-30(16-18-32)40(4)24-27-11-13-31(14-12-27)41-20-19-39(3)37(44)25-41/h6-10,15-18,21,23,26-27,31,38H,11-14,19-20,22,24-25H2,1-5H3/t27-,31-,38-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of MDMX (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)) | BDBM50513202
(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
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50397778
(CHEMBL2177813 | US9593129, Example 35)Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/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 | 
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM129722
(US8815926, 1)Show SMILES COc1ccc(F)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C29H26Cl2FN3O2/c1-15(2)34-27-25(33-28(34)22-14-20(32)9-11-24(22)37-5)29(36)35(23-13-19(31)7-6-16(23)3)26(27)21-10-8-18(30)12-17(21)4/h6-15,26H,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDM2 (2 to 188 residues) by TR-FRET assay |
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)) | BDBM50513207
(CHEMBL4566706)Show SMILES CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C23H23Cl2N3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-6-14(24)7-5-13)18-16-9-8-15(25)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of 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 | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM129722
(US8815926, 1)Show SMILES COc1ccc(F)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C29H26Cl2FN3O2/c1-15(2)34-27-25(33-28(34)22-14-20(32)9-11-24(22)37-5)29(36)35(23-13-19(31)7-6-16(23)3)26(27)21-10-8-18(30)12-17(21)4/h6-15,26H,1-5H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 468 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDMX (2 to 185 residues) by TR-FRET assay |
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)) | BDBM50436049
(CHEMBL2396744)Show SMILES OC(=O)[C@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20+/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
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50513201
(CHEMBL4447592)Show SMILES CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of 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)) | BDBM31314
(1,4-benzodiazepine-2,5-dione, 12k)Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r| Show InChI InChI=1S/C31H34Cl2IN5O2/c1-20(25-10-8-23(33)18-27(25)35)39-29(21-4-6-22(32)7-5-21)31(41)38(13-3-12-37-16-14-36(2)15-17-37)28-11-9-24(34)19-26(28)30(39)40/h4-11,18-20,29H,3,12-17,35H2,1-2H3/t20-,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 704 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM143333
(US8969341, 1)Show SMILES CC(C)c1c2C(N(C(=O)c2nn1Cc1ccccn1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C Show InChI InChI=1S/C27H23Cl2FN4O/c1-15(2)25-22-24(32-33(25)14-18-7-4-5-12-31-18)27(35)34(21-9-6-8-20(29)23(21)30)26(22)19-11-10-17(28)13-16(19)3/h4-13,15,26H,14H2,1-3H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDMX (2 to 185 residues) by TR-FRET assay |
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)) | BDBM143333
(US8969341, 1)Show SMILES CC(C)c1c2C(N(C(=O)c2nn1Cc1ccccn1)c1cccc(Cl)c1F)c1ccc(Cl)cc1C Show InChI InChI=1S/C27H23Cl2FN4O/c1-15(2)25-22-24(32-33(25)14-18-7-4-5-12-31-18)27(35)34(21-9-6-8-20(29)23(21)30)26(22)19-11-10-17(28)13-16(19)3/h4-13,15,26H,14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDM2 (2 to 188 residues) by TR-FRET assay |
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)) | BDBM129785
(US8815926, 64)Show SMILES COc1ccccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F Show InChI InChI=1S/C28H24Cl2FN3O2/c1-15(2)33-26-24(32-27(33)19-8-5-6-11-22(19)36-4)28(35)34(21-10-7-9-20(30)23(21)31)25(26)18-13-12-17(29)14-16(18)3/h5-15,25H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDM2 (2 to 188 residues) by TR-FRET assay |
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)) | BDBM162123
(US9051279, 106)Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)| Show InChI InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/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
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of p53 derived Cy5-p53 peptide (18 to 26 residues) binding to human MDM2 (2 to 188 residues) after 30 mins by TR-FRET assay |
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 |
3D Structure (crystal) |
Protein Mdm4
(Homo sapiens (Human)) | BDBM129785
(US8815926, 64)Show SMILES COc1ccccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F Show InChI InChI=1S/C28H24Cl2FN3O2/c1-15(2)33-26-24(32-27(33)19-8-5-6-11-22(19)36-4)28(35)34(21-10-7-9-20(30)23(21)31)25(26)18-13-12-17(29)14-16(18)3/h5-15,25H,1-4H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDMX (2 to 185 residues) by TR-FRET assay |
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)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/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
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM31197
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 (unknown origin) by fluorescence polarization assay |
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 |
3D Structure (crystal) |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50014089
(CHEMBL1236726)Show SMILES CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccccc1 |r,wD:8.7,(-5.37,10.95,;-4.13,10.05,;-2.72,10.67,;-4.29,8.51,;-3.04,7.61,;-3.2,6.08,;-1.96,5.17,;-.55,5.8,;-2.12,3.64,;-3.45,2.87,;-3.13,1.36,;-1.6,1.2,;-.97,2.61,;-.83,-.13,;-1.6,-1.46,;.71,-.13,;1.61,1.12,;3.08,.64,;4.41,1.41,;5.75,.64,;7.08,1.41,;5.75,-.9,;4.41,-1.67,;3.08,-.9,;1.61,-1.38,;1.14,-2.84,;2.04,-4.09,;1.14,-5.33,;-.33,-4.86,;-.33,-3.32,;-1.57,-2.41,;-2.98,-3.04,;-3.14,-4.57,;-4.55,-5.2,;-5.79,-4.29,;-7.2,-4.92,;-5.63,-2.76,;-4.23,-2.13,;3.58,-4.09,;4.35,-2.75,;5.89,-2.75,;6.66,-4.09,;5.89,-5.42,;4.35,-5.42,)| Show InChI InChI=1S/C35H38Cl2N6O/c1-40(2)17-7-18-41(3)28-16-19-42(22-28)35(44)33-31(29-15-14-27(37)20-30(29)39-33)34-32(25-8-5-4-6-9-25)38-23-43(34)21-24-10-12-26(36)13-11-24/h4-6,8-15,20,23,28,39H,7,16-19,21-22H2,1-3H3/t28-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of p53 protein binding to MDMX (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 |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50513208
(CHEMBL4539441)Show SMILES CC(=O)N1C(=O)[C@@]2(S[C@H]([C@@H](O)C[C@@H]2c2ccccc2)C(=O)c2ccccc2)c2c1cccc2Br |r| Show InChI InChI=1S/C27H22BrNO4S/c1-16(30)29-21-14-8-13-20(28)23(21)27(26(29)33)19(17-9-4-2-5-10-17)15-22(31)25(34-27)24(32)18-11-6-3-7-12-18/h2-14,19,22,25,31H,15H2,1H3/t19-,22+,25-,27+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.68E+3 | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 (unknown origin) by fluorescence polarization assay |
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)) | BDBM50513210
(CHEMBL4548943)Show SMILES O[C@H]1C[C@H](c2ccccc2)[C@@]2(S[C@H]1C(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c21 |r| Show InChI InChI=1S/C25H19Br2NO3S/c26-16-11-9-15(10-12-16)22(30)23-20(29)13-17(14-5-2-1-3-6-14)25(32-23)21-18(27)7-4-8-19(21)28-24(25)31/h1-12,17,20,23,29H,13H2,(H,28,31)/t17-,20+,23-,25+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.36E+3 | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 (unknown origin) by fluorescence polarization assay |
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 | |
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