Found 113 hits of Enzyme Inhibition Constant Data 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)) | BDBM50008748
(CHEMBL3236357)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)s2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008762
(CHEMBL3236635)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27-,28-,30-,34-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008775
(CHEMBL3236648)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H36Cl2FN3O5S/c1-32(2,3)45(43,44)18-27(19-8-9-19)39-29(21-10-11-25(35)26(36)13-21)24(20-6-5-7-23(34)12-20)14-33(4,31(39)42)15-28-37-16-22(17-38-28)30(40)41/h5-7,10-13,16-17,19,24,27,29H,8-9,14-15,18H2,1-4H3,(H,40,41)/t24-,27-,29-,33-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008774
(CHEMBL3236647)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H37Cl2N3O5S/c1-32(2,3)44(42,43)19-27(20-8-9-20)38-29(21-10-12-24(34)13-11-21)26(22-6-5-7-25(35)14-22)15-33(4,31(38)41)16-28-36-17-23(18-37-28)30(39)40/h5-7,10-14,17-18,20,26-27,29H,8-9,15-16,19H2,1-4H3,(H,39,40)/t26-,27-,29-,33-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008756
(CHEMBL3236361)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H35Cl2NO6S/c1-29(2,3)40(38,39)17-24(18-8-9-18)33-26(19-10-12-21(31)13-11-19)23(20-6-5-7-22(32)14-20)15-30(4,28(33)37)16-25(34)27(35)36/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,35,36)/t23-,24-,26-,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008810
(CHEMBL3236657)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)s2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-30(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(37)40)17-28-36-18-25(43-28)15-29(38)39/h5-7,10-14,18,20,26-27,30H,8-9,15-17,19H2,1-4H3,(H,38,39)/t26-,27-,30-,33-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008763
(CHEMBL3236636)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27+,28+,30+,34+/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50448963
(CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50448936
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008819
(CHEMBL3236665 | US9758495, 1)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008815
(CHEMBL3236662)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)o2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H37Cl2FN2O6S/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008778
(CHEMBL3236651)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cn2cc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H37Cl2N3O5S/c1-31(2,3)43(41,42)18-27(20-8-9-20)37-28(21-10-12-24(33)13-11-21)26(22-6-5-7-25(34)14-22)15-32(4,30(37)40)19-36-17-23(16-35-36)29(38)39/h5-7,10-14,16-17,20,26-28H,8-9,15,18-19H2,1-4H3,(H,38,39)/t26-,27-,28-,32-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008750
(CHEMBL3236639)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cc(ccn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-12-25(35)13-11-22)28(23-6-5-7-26(36)16-23)19-34(4,32(38)41)18-27-17-24(31(39)40)14-15-37-27/h5-7,10-17,21,28-30H,8-9,18-20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008760
(CHEMBL3236364)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H36Cl2N2O4S/c1-28(2,3)38(36,37)17-24(18-8-9-18)33-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(33)35)16-25(32)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H2,32,34)/t23-,24-,26-,29-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008749
(CHEMBL3236356)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-13-25(35)14-11-22)28(23-6-5-7-26(36)16-23)18-34(4,32(38)41)17-27-15-12-24(19-37-27)31(39)40/h5-7,10-16,19,21,28-30H,8-9,17-18,20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008816
(CHEMBL3236663)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nnc(CC(O)=O)[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H38Cl2N4O5S/c1-31(2,3)44(42,43)18-25(19-8-9-19)38-29(20-10-12-22(33)13-11-20)24(21-6-5-7-23(34)14-21)16-32(4,30(38)41)17-27-35-26(36-37-27)15-28(39)40/h5-7,10-14,19,24-25,29H,8-9,15-18H2,1-4H3,(H,39,40)(H,35,36,37)/t24-,25-,29-,32-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008813
(CHEMBL3236660)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(F)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H36Cl2F2N2O5S2/c1-32(2,3)46(43,44)17-25(18-8-9-18)39-29(20-10-11-23(35)24(36)13-20)22(19-6-5-7-21(34)12-19)14-33(4,31(39)42)15-27-38-16-26(45-27)28(37)30(40)41/h5-7,10-13,16,18,22,25,28-29H,8-9,14-15,17H2,1-4H3,(H,40,41)/t22-,25-,28?,29-,33-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008808
(CHEMBL3236655)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C32H35Cl2FN2O5S2/c1-31(2,3)44(41,42)17-25(18-8-9-18)37-28(20-10-11-23(34)24(35)13-20)22(19-6-5-7-21(33)12-19)14-32(4,30(37)40)15-27-36-16-26(43-27)29(38)39/h5-7,10-13,16,18,22,25,28H,8-9,14-15,17H2,1-4H3,(H,38,39)/t22-,25-,28-,32-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008753
(CHEMBL3236358)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2nnn[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H35Cl2N5O3S/c1-6-22(17-39(37,38)27(2,3)4)35-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(35)36)16-24-31-33-34-32-24/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,31,32,33,34)/t22-,23+,25+,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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008766
(CHEMBL3236654)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-26(20-8-9-20)37-30(21-10-12-23(34)13-11-21)25(22-6-5-7-24(35)14-22)15-33(4,31(37)40)16-29-36-17-28(43-29)27(39)18-38/h5-7,10-14,17,20,25-26,30,38H,8-9,15-16,18-19H2,1-4H3/t25-,26-,30-,33-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008806
(CHEMBL3236653)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H36Cl2N2O5S2/c1-31(2,3)43(40,41)18-25(19-8-9-19)36-28(20-10-12-22(33)13-11-20)24(21-6-5-7-23(34)14-21)15-32(4,30(36)39)16-27-35-17-26(42-27)29(37)38/h5-7,10-14,17,19,24-25,28H,8-9,15-16,18H2,1-4H3,(H,37,38)/t24-,25-,28-,32-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008776
(CHEMBL3236649)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cnc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H37Cl2N3O5S/c1-32(2,3)44(42,43)19-28(20-8-9-20)38-29(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(38)41)15-25-17-37-27(18-36-25)30(39)40/h5-7,10-14,17-18,20,26,28-29H,8-9,15-16,19H2,1-4H3,(H,39,40)/t26-,28-,29-,33+/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008814
(CHEMBL3236661)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(F)(F)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H35Cl2F3N2O5S2/c1-31(2,3)47(44,45)17-25(18-8-9-18)40-28(20-10-11-23(35)24(36)13-20)22(19-6-5-7-21(34)12-19)14-32(4,29(40)41)15-27-39-16-26(46-27)33(37,38)30(42)43/h5-7,10-13,16,18,22,25,28H,8-9,14-15,17H2,1-4H3,(H,42,43)/t22-,25-,28-,32-/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008818
(CHEMBL3233049 | US9758495, 2)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008769
(CHEMBL3236642)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C34H37Cl2FN2O5S/c1-33(2,3)45(43,44)19-29(20-8-9-20)39-30(22-11-13-27(36)28(37)15-22)26(21-6-5-7-24(35)14-21)17-34(4,32(39)42)16-25-12-10-23(18-38-25)31(40)41/h5-7,10-15,18,20,26,29-30H,8-9,16-17,19H2,1-4H3,(H,40,41)/t26-,29-,30-,34+/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
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008812
(CHEMBL3236659)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C2(CC2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H40Cl2N2O5S2/c1-33(2,3)46(43,44)20-27(21-8-9-21)39-30(22-10-12-24(36)13-11-22)26(23-6-5-7-25(37)16-23)17-34(4,31(39)40)18-29-38-19-28(45-29)35(14-15-35)32(41)42/h5-7,10-13,16,19,21,26-27,30H,8-9,14-15,17-18,20H2,1-4H3,(H,41,42)/t26-,27-,30-,34-/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008811
(CHEMBL3236658)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(C)(C)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H42Cl2N2O5S2/c1-33(2,3)46(43,44)20-27(21-10-11-21)39-30(22-12-14-24(36)15-13-22)26(23-8-7-9-25(37)16-23)17-35(6,31(39)40)18-29-38-19-28(45-29)34(4,5)32(41)42/h7-9,12-16,19,21,26-27,30H,10-11,17-18,20H2,1-6H3,(H,41,42)/t26-,27-,30-,35-/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008817
(CHEMBL3236664)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H39Cl2N3O5S/c1-32(2,3)44(42,43)19-27(20-8-9-20)38-30(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(38)41)17-28-36-18-25(37-28)15-29(39)40/h5-7,10-14,18,20,26-27,30H,8-9,15-17,19H2,1-4H3,(H,36,37)(H,39,40)/t26-,27-,30-,33-/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008771
(CHEMBL3236644)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cn2)C(C)(C)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C37H44Cl2N2O5S/c1-35(2,3)47(45,46)22-31(23-10-11-23)41-32(24-12-15-27(38)16-13-24)30(25-8-7-9-28(39)18-25)20-37(6,33(41)42)19-29-17-14-26(21-40-29)36(4,5)34(43)44/h7-9,12-18,21,23,30-32H,10-11,19-20,22H2,1-6H3,(H,43,44)/t30-,31-,32-,37+/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008770
(CHEMBL3236643)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(CC(O)=O)cn2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H40Cl2N2O5S/c1-34(2,3)45(43,44)21-30(23-9-10-23)39-32(24-11-13-26(36)14-12-24)29(25-6-5-7-27(37)17-25)19-35(4,33(39)42)18-28-15-8-22(20-38-28)16-31(40)41/h5-8,11-15,17,20,23,29-30,32H,9-10,16,18-19,21H2,1-4H3,(H,40,41)/t29-,30-,32-,35+/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008751
(CHEMBL3236640)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nc(CC(O)=O)cs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-30(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(37)40)17-28-36-25(18-43-28)15-29(38)39/h5-7,10-14,18,20,26-27,30H,8-9,15-17,19H2,1-4H3,(H,38,39)/t26-,27-,30-,33-/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008754
(CHEMBL3236359)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2noc(=O)[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2N3O5S/c1-6-22(17-40(37,38)28(2,3)4)34-25(18-10-12-20(30)13-11-18)23(19-8-7-9-21(31)14-19)15-29(5,26(34)35)16-24-32-27(36)39-33-24/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33,36)/t22-,23+,25+,29+/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008809
(CHEMBL3236656)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nccs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C31H35Cl2FN2O3S2/c1-30(2,3)41(38,39)18-26(19-8-9-19)36-28(21-10-11-24(33)25(34)15-21)23(20-6-5-7-22(32)14-20)16-31(4,29(36)37)17-27-35-12-13-40-27/h5-7,10-15,19,23,26,28H,8-9,16-18H2,1-4H3/t23-,26-,28-,31-/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
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008764
(CHEMBL3236637)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccccn2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O3S/c1-32(2,3)41(39,40)21-29(22-11-12-22)37-30(23-13-15-25(34)16-14-23)28(24-8-7-9-26(35)18-24)20-33(4,31(37)38)19-27-10-5-6-17-36-27/h5-10,13-18,22,28-30H,11-12,19-21H2,1-4H3/t28-,29-,30-,33+/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
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008773
(CHEMBL3236646)Show SMILES Cc1cc(C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ncc1C(O)=O |r| Show InChI InChI=1S/C35H40Cl2N2O5S/c1-21-15-27(38-19-29(21)32(40)41)17-35(5)18-28(24-7-6-8-26(37)16-24)31(23-11-13-25(36)14-12-23)39(33(35)42)30(22-9-10-22)20-45(43,44)34(2,3)4/h6-8,11-16,19,22,28,30-31H,9-10,17-18,20H2,1-5H3,(H,40,41)/t28-,30-,31-,35+/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
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008804
(CHEMBL3236652)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nc(cs2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H36Cl2N2O5S2/c1-31(2,3)43(40,41)18-26(19-8-9-19)36-28(20-10-12-22(33)13-11-20)24(21-6-5-7-23(34)14-21)15-32(4,30(36)39)16-27-35-25(17-42-27)29(37)38/h5-7,10-14,17,19,24,26,28H,8-9,15-16,18H2,1-4H3,(H,37,38)/t24-,26-,28-,32-/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
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008772
(CHEMBL3236645)Show SMILES Cc1nc(C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O |r| Show InChI InChI=1S/C35H40Cl2N2O5S/c1-21-28(32(40)41)16-15-27(38-21)18-35(5)19-29(24-7-6-8-26(37)17-24)31(23-11-13-25(36)14-12-23)39(33(35)42)30(22-9-10-22)20-45(43,44)34(2,3)4/h6-8,11-17,22,29-31H,9-10,18-20H2,1-5H3,(H,40,41)/t29-,30-,31-,35+/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
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008759
(CHEMBL3236363)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H36Cl2N2O4S/c1-6-22(17-37(35,36)27(2,3)4)32-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(32)34)16-24(31)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H2,31,33)/t22-,23+,25+,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
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008820
(CHEMBL3236667)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-13-25(35)14-11-22)28(23-6-5-7-26(36)16-23)18-34(4,32(38)41)17-27-15-12-24(19-37-27)31(39)40/h5-7,10-16,19,21,28-30H,8-9,17-18,20H2,1-4H3,(H,39,40)/t28-,29-,30-,34-/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
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008769
(CHEMBL3236642)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C34H37Cl2FN2O5S/c1-33(2,3)45(43,44)19-29(20-8-9-20)39-30(22-11-13-27(36)28(37)15-22)26(21-6-5-7-24(35)14-21)17-34(4,32(39)42)16-25-12-10-23(18-38-25)31(40)41/h5-7,10-15,18,20,26,29-30H,8-9,16-17,19H2,1-4H3,(H,40,41)/t26-,29-,30-,34+/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
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008758
(CHEMBL3236362)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H37Cl2NO5S/c1-6-23(18-38(36,37)28(2,3)4)32-26(19-10-12-21(30)13-11-19)25(20-8-7-9-22(31)14-20)16-29(5,27(32)35)15-24(34)17-33/h7-14,23,25-26,33H,6,15-18H2,1-5H3/t23-,25+,26+,29-/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
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008808
(CHEMBL3236655)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C32H35Cl2FN2O5S2/c1-31(2,3)44(41,42)17-25(18-8-9-18)37-28(20-10-11-23(34)24(35)13-20)22(19-6-5-7-21(33)12-19)14-32(4,30(37)40)15-27-36-16-26(43-27)29(38)39/h5-7,10-13,16,18,22,25,28H,8-9,14-15,17H2,1-4H3,(H,38,39)/t22-,25-,28-,32-/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
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008776
(CHEMBL3236649)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cnc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H37Cl2N3O5S/c1-32(2,3)44(42,43)19-28(20-8-9-20)38-29(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(38)41)15-25-17-37-27(18-36-25)30(39)40/h5-7,10-14,17-18,20,26,28-29H,8-9,15-16,19H2,1-4H3,(H,39,40)/t26-,28-,29-,33+/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
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008763
(CHEMBL3236636)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27+,28+,30+,34+/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
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008806
(CHEMBL3236653)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H36Cl2N2O5S2/c1-31(2,3)43(40,41)18-25(19-8-9-19)36-28(20-10-12-22(33)13-11-20)24(21-6-5-7-23(34)14-21)15-32(4,30(36)39)16-27-35-17-26(42-27)29(37)38/h5-7,10-14,17,19,24-25,28H,8-9,15-16,18H2,1-4H3,(H,37,38)/t24-,25-,28-,32-/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
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008774
(CHEMBL3236647)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H37Cl2N3O5S/c1-32(2,3)44(42,43)19-27(20-8-9-20)38-29(21-10-12-24(34)13-11-21)26(22-6-5-7-25(35)14-22)15-33(4,31(38)41)16-28-36-17-23(18-37-28)30(39)40/h5-7,10-14,17-18,20,26-27,29H,8-9,15-16,19H2,1-4H3,(H,39,40)/t26-,27-,29-,33-/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
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008748
(CHEMBL3236357)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)s2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008753
(CHEMBL3236358)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2nnn[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H35Cl2N5O3S/c1-6-22(17-39(37,38)27(2,3)4)35-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(35)36)16-24-31-33-34-32-24/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,31,32,33,34)/t22-,23+,25+,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
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008749
(CHEMBL3236356)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-13-25(35)14-11-22)28(23-6-5-7-26(36)16-23)18-34(4,32(38)41)17-27-15-12-24(19-37-27)31(39)40/h5-7,10-16,19,21,28-30H,8-9,17-18,20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008775
(CHEMBL3236648)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H36Cl2FN3O5S/c1-32(2,3)45(43,44)18-27(19-8-9-19)39-29(21-10-11-25(35)26(36)13-21)24(20-6-5-7-23(34)12-20)14-33(4,31(39)42)15-28-37-16-22(17-38-28)30(40)41/h5-7,10-13,16-17,19,24,27,29H,8-9,14-15,18H2,1-4H3,(H,40,41)/t24-,27-,29-,33-/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
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008778
(CHEMBL3236651)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cn2cc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H37Cl2N3O5S/c1-31(2,3)43(41,42)18-27(20-8-9-20)37-28(21-10-12-24(33)13-11-21)26(22-6-5-7-25(34)14-22)15-32(4,30(37)40)19-36-17-23(16-35-36)29(38)39/h5-7,10-14,16-17,20,26-28H,8-9,15,18-19H2,1-4H3,(H,38,39)/t26-,27-,28-,32-/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
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008816
(CHEMBL3236663)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nnc(CC(O)=O)[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H38Cl2N4O5S/c1-31(2,3)44(42,43)18-25(19-8-9-19)38-29(20-10-12-22(33)13-11-20)24(21-6-5-7-23(34)14-21)16-32(4,30(38)41)17-27-35-26(36-37-27)15-28(39)40/h5-7,10-14,19,24-25,29H,8-9,15-18H2,1-4H3,(H,39,40)(H,35,36,37)/t24-,25-,29-,32-/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
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008819
(CHEMBL3236665 | US9758495, 1)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008751
(CHEMBL3236640)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nc(CC(O)=O)cs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-30(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(37)40)17-28-36-25(18-43-28)15-29(38)39/h5-7,10-14,18,20,26-27,30H,8-9,15-17,19H2,1-4H3,(H,38,39)/t26-,27-,30-,33-/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
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50448936
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50448963
(CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/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
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008761
(CHEMBL3236365)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CS(N)(=O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H36Cl2N2O5S2/c1-27(2,3)38(34,35)16-24(18-8-9-18)32-25(19-10-12-21(29)13-11-19)23(20-6-5-7-22(30)14-20)15-28(4,26(32)33)17-39(31,36)37/h5-7,10-14,18,23-25H,8-9,15-17H2,1-4H3,(H2,31,36,37)/t23-,24-,25-,28-/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
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008810
(CHEMBL3236657)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)s2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-30(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(37)40)17-28-36-18-25(43-28)15-29(38)39/h5-7,10-14,18,20,26-27,30H,8-9,15-17,19H2,1-4H3,(H,38,39)/t26-,27-,30-,33-/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
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008767
(CHEMBL3236641)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cccc(n2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-11-12-21)38-30(22-13-15-24(35)16-14-22)27(23-7-5-8-25(36)17-23)19-34(4,32(38)41)18-26-9-6-10-28(37-26)31(39)40/h5-10,13-17,21,27,29-30H,11-12,18-20H2,1-4H3,(H,39,40)/t27-,29-,30-,34+/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
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008754
(CHEMBL3236359)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2noc(=O)[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2N3O5S/c1-6-22(17-40(37,38)28(2,3)4)34-25(18-10-12-20(30)13-11-18)23(19-8-7-9-21(31)14-19)15-29(5,26(34)35)16-24-32-27(36)39-33-24/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33,36)/t22-,23+,25+,29+/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
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008814
(CHEMBL3236661)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(F)(F)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H35Cl2F3N2O5S2/c1-31(2,3)47(44,45)17-25(18-8-9-18)40-28(20-10-11-23(35)24(36)13-20)22(19-6-5-7-21(34)12-19)14-32(4,29(40)41)15-27-39-16-26(46-27)33(37,38)30(42)43/h5-7,10-13,16,18,22,25,28H,8-9,14-15,17H2,1-4H3,(H,42,43)/t22-,25-,28-,32-/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
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008815
(CHEMBL3236662)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)o2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H37Cl2FN2O6S/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008750
(CHEMBL3236639)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cc(ccn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-12-25(35)13-11-22)28(23-6-5-7-26(36)16-23)19-34(4,32(38)41)18-27-17-24(31(39)40)14-15-37-27/h5-7,10-17,21,28-30H,8-9,18-20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/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
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008818
(CHEMBL3233049 | US9758495, 2)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008817
(CHEMBL3236664)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H39Cl2N3O5S/c1-32(2,3)44(42,43)19-27(20-8-9-20)38-30(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(38)41)17-28-36-18-25(37-28)15-29(39)40/h5-7,10-14,18,20,26-27,30H,8-9,15-17,19H2,1-4H3,(H,36,37)(H,39,40)/t26-,27-,30-,33-/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
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008766
(CHEMBL3236654)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-26(20-8-9-20)37-30(21-10-12-23(34)13-11-21)25(22-6-5-7-24(35)14-22)15-33(4,31(37)40)16-29-36-17-28(43-29)27(39)18-38/h5-7,10-14,17,20,25-26,30,38H,8-9,15-16,18-19H2,1-4H3/t25-,26-,30-,33-/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
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008771
(CHEMBL3236644)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cn2)C(C)(C)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C37H44Cl2N2O5S/c1-35(2,3)47(45,46)22-31(23-10-11-23)41-32(24-12-15-27(38)16-13-24)30(25-8-7-9-28(39)18-25)20-37(6,33(41)42)19-29-17-14-26(21-40-29)36(4,5)34(43)44/h7-9,12-18,21,23,30-32H,10-11,19-20,22H2,1-6H3,(H,43,44)/t30-,31-,32-,37+/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
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008760
(CHEMBL3236364)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H36Cl2N2O4S/c1-28(2,3)38(36,37)17-24(18-8-9-18)33-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(33)35)16-25(32)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H2,32,34)/t23-,24-,26-,29-/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
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008762
(CHEMBL3236635)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27-,28-,30-,34-/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
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008756
(CHEMBL3236361)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H35Cl2NO6S/c1-29(2,3)40(38,39)17-24(18-8-9-18)33-26(19-10-12-21(31)13-11-19)23(20-6-5-7-22(32)14-20)15-30(4,28(33)37)16-25(34)27(35)36/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,35,36)/t23-,24-,26-,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008770
(CHEMBL3236643)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(CC(O)=O)cn2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H40Cl2N2O5S/c1-34(2,3)45(43,44)21-30(23-9-10-23)39-32(24-11-13-26(36)14-12-24)29(25-6-5-7-27(37)17-25)19-35(4,33(39)42)18-28-15-8-22(20-38-28)16-31(40)41/h5-8,11-15,17,20,23,29-30,32H,9-10,16,18-19,21H2,1-4H3,(H,40,41)/t29-,30-,32-,35+/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
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008813
(CHEMBL3236660)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(F)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H36Cl2F2N2O5S2/c1-32(2,3)46(43,44)17-25(18-8-9-18)39-29(20-10-11-23(35)24(36)13-20)22(19-6-5-7-21(34)12-19)14-33(4,31(39)42)15-27-38-16-26(45-27)28(37)30(40)41/h5-7,10-13,16,18,22,25,28-29H,8-9,14-15,17H2,1-4H3,(H,40,41)/t22-,25-,28?,29-,33-/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
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50007639
(CHEMBL3233130)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31Cl2NO6S/c1-5-20(15-36(33,34)26(2,3)4)29-23(16-9-11-18(27)12-10-16)24(17-7-6-8-19(28)13-17)35-21(25(29)32)14-22(30)31/h6-13,20-21,23-24H,5,14-15H2,1-4H3,(H,30,31)/t20-,21+,23+,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008811
(CHEMBL3236658)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(C)(C)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H42Cl2N2O5S2/c1-33(2,3)46(43,44)20-27(21-10-11-21)39-30(22-12-14-24(36)15-13-22)26(23-8-7-9-25(37)16-23)17-35(6,31(39)40)18-29-38-19-28(45-29)34(4,5)32(41)42/h7-9,12-16,19,21,26-27,30H,10-11,17-18,20H2,1-6H3,(H,41,42)/t26-,27-,30-,35-/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
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008759
(CHEMBL3236363)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H36Cl2N2O4S/c1-6-22(17-37(35,36)27(2,3)4)32-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(32)34)16-24(31)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H2,31,33)/t22-,23+,25+,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
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008812
(CHEMBL3236659)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C2(CC2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H40Cl2N2O5S2/c1-33(2,3)46(43,44)20-27(21-8-9-21)39-30(22-10-12-24(36)13-11-22)26(23-6-5-7-25(37)16-23)17-34(4,31(39)40)18-29-38-19-28(45-29)35(14-15-35)32(41)42/h5-7,10-13,16,19,21,26-27,30H,8-9,14-15,17-18,20H2,1-4H3,(H,41,42)/t26-,27-,30-,34-/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
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008777
(CHEMBL3236650)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cc2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H39Cl2NO5S/c1-34(2,3)44(42,43)21-30(23-12-13-23)38-31(24-14-16-27(36)17-15-24)29(26-6-5-7-28(37)18-26)20-35(4,33(38)41)19-22-8-10-25(11-9-22)32(39)40/h5-11,14-18,23,29-31H,12-13,19-21H2,1-4H3,(H,39,40)/t29-,30-,31-,35+/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
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008755
(CHEMBL3236360)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)NS(=O)(=O)C(F)(F)F)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2F3N2O6S2/c1-6-22(17-43(39,40)27(2,3)4)36-25(18-10-12-20(30)13-11-18)23(19-8-7-9-21(31)14-19)15-28(5,26(36)38)16-24(37)35-44(41,42)29(32,33)34/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,35,37)/t22-,23+,25+,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
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008758
(CHEMBL3236362)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H37Cl2NO5S/c1-6-23(18-38(36,37)28(2,3)4)32-26(19-10-12-21(30)13-11-19)25(20-8-7-9-22(31)14-20)16-29(5,27(32)35)15-24(34)17-33/h7-14,23,25-26,33H,6,15-18H2,1-5H3/t23-,25+,26+,29-/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
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008749
(CHEMBL3236356)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-13-25(35)14-11-22)28(23-6-5-7-26(36)16-23)18-34(4,32(38)41)17-27-15-12-24(19-37-27)31(39)40/h5-7,10-16,19,21,28-30H,8-9,17-18,20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 expression |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008772
(CHEMBL3236645)Show SMILES Cc1nc(C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O |r| Show InChI InChI=1S/C35H40Cl2N2O5S/c1-21-28(32(40)41)16-15-27(38-21)18-35(5)19-29(24-7-6-8-26(37)17-24)31(23-11-13-25(36)14-12-23)39(33(35)42)30(22-9-10-22)20-45(43,44)34(2,3)4/h6-8,11-17,22,29-31H,9-10,18-20H2,1-5H3,(H,40,41)/t29-,30-,31-,35+/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
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008809
(CHEMBL3236656)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nccs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C31H35Cl2FN2O3S2/c1-30(2,3)41(38,39)18-26(19-8-9-19)36-28(21-10-11-24(33)25(34)15-21)23(20-6-5-7-22(32)14-20)16-31(4,29(36)37)17-27-35-12-13-40-27/h5-7,10-15,19,23,26,28H,8-9,16-18H2,1-4H3/t23-,26-,28-,31-/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
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008773
(CHEMBL3236646)Show SMILES Cc1cc(C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ncc1C(O)=O |r| Show InChI InChI=1S/C35H40Cl2N2O5S/c1-21-15-27(38-19-29(21)32(40)41)17-35(5)18-28(24-7-6-8-26(37)16-24)31(23-11-13-25(36)14-12-23)39(33(35)42)30(22-9-10-22)20-45(43,44)34(2,3)4/h6-8,11-16,19,22,28,30-31H,9-10,17-18,20H2,1-5H3,(H,40,41)/t28-,30-,31-,35+/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
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008764
(CHEMBL3236637)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccccn2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O3S/c1-32(2,3)41(39,40)21-29(22-11-12-22)37-30(23-13-15-25(34)16-14-23)28(24-8-7-9-26(35)18-24)20-33(4,31(37)38)19-27-10-5-6-17-36-27/h5-10,13-18,22,28-30H,11-12,19-21H2,1-4H3/t28-,29-,30-,33+/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
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008765
(CHEMBL3236638)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccccc2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H39Cl2NO3S/c1-33(2,3)41(39,40)22-30(24-13-14-24)37-31(25-15-17-27(35)18-16-25)29(26-11-8-12-28(36)19-26)21-34(4,32(37)38)20-23-9-6-5-7-10-23/h5-12,15-19,24,29-31H,13-14,20-22H2,1-4H3/t29-,30-,31-,34+/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
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008820
(CHEMBL3236667)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-13-25(35)14-11-22)28(23-6-5-7-26(36)16-23)18-34(4,32(38)41)17-27-15-12-24(19-37-27)31(39)40/h5-7,10-16,19,21,28-30H,8-9,17-18,20H2,1-4H3,(H,39,40)/t28-,29-,30-,34-/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
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008804
(CHEMBL3236652)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nc(cs2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H36Cl2N2O5S2/c1-31(2,3)43(40,41)18-26(19-8-9-19)36-28(20-10-12-22(33)13-11-20)24(21-6-5-7-23(34)14-21)15-32(4,30(36)39)16-27-35-25(17-42-27)29(37)38/h5-7,10-14,17,19,24,26,28H,8-9,15-16,18H2,1-4H3,(H,37,38)/t24-,26-,28-,32-/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
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008821
(CHEMBL3236666)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31Cl2NO6S/c1-5-20(15-36(33,34)26(2,3)4)29-23(16-9-11-18(27)12-10-16)24(17-7-6-8-19(28)13-17)35-21(25(29)32)14-22(30)31/h6-13,20-21,23-24H,5,14-15H2,1-4H3,(H,30,31)/t20-,21-,23+,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008761
(CHEMBL3236365)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CS(N)(=O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H36Cl2N2O5S2/c1-27(2,3)38(34,35)16-24(18-8-9-18)32-25(19-10-12-21(29)13-11-19)23(20-6-5-7-22(30)14-20)15-28(4,26(32)33)17-39(31,36)37/h5-7,10-14,18,23-25H,8-9,15-17H2,1-4H3,(H2,31,36,37)/t23-,24-,25-,28-/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
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008755
(CHEMBL3236360)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)NS(=O)(=O)C(F)(F)F)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2F3N2O6S2/c1-6-22(17-43(39,40)27(2,3)4)36-25(18-10-12-20(30)13-11-18)23(19-8-7-9-21(31)14-19)15-28(5,26(36)38)16-24(37)35-44(41,42)29(32,33)34/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,35,37)/t22-,23+,25+,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
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008767
(CHEMBL3236641)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cccc(n2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-11-12-21)38-30(22-13-15-24(35)16-14-22)27(23-7-5-8-25(36)17-23)19-34(4,32(38)41)18-26-9-6-10-28(37-26)31(39)40/h5-10,13-17,21,27,29-30H,11-12,18-20H2,1-4H3,(H,39,40)/t27-,29-,30-,34+/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
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008777
(CHEMBL3236650)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cc2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H39Cl2NO5S/c1-34(2,3)44(42,43)21-30(23-12-13-23)38-31(24-14-16-27(36)17-15-24)29(26-6-5-7-28(37)18-26)20-35(4,33(38)41)19-22-8-10-25(11-9-22)32(39)40/h5-11,14-18,23,29-31H,12-13,19-21H2,1-4H3,(H,39,40)/t29-,30-,31-,35+/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
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008750
(CHEMBL3236639)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cc(ccn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-12-25(35)13-11-22)28(23-6-5-7-26(36)16-23)19-34(4,32(38)41)18-27-17-24(31(39)40)14-15-37-27/h5-7,10-17,21,28-30H,8-9,18-20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/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
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 expression |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008748
(CHEMBL3236357)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)s2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 in human HCT116 cells expressing p53 assessed as upregulation of p21 mRNA expression after 7 hrs by quantitative RT-PCR anal... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50008765
(CHEMBL3236638)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccccc2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H39Cl2NO3S/c1-33(2,3)41(39,40)22-30(24-13-14-24)37-31(25-15-17-27(35)18-16-25)29(26-11-8-12-28(36)19-26)21-34(4,32(37)38)20-23-9-6-5-7-10-23/h5-12,15-19,24,29-31H,13-14,20-22H2,1-4H3/t29-,30-,31-,34+/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
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008761
(CHEMBL3236365)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CS(N)(=O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H36Cl2N2O5S2/c1-27(2,3)38(34,35)16-24(18-8-9-18)32-25(19-10-12-21(29)13-11-19)23(20-6-5-7-22(30)14-20)15-28(4,26(32)33)17-39(31,36)37/h5-7,10-14,18,23-25H,8-9,15-17H2,1-4H3,(H2,31,36,37)/t23-,24-,25-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008764
(CHEMBL3236637)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccccn2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O3S/c1-32(2,3)41(39,40)21-29(22-11-12-22)37-30(23-13-15-25(34)16-14-23)28(24-8-7-9-26(35)18-24)20-33(4,31(37)38)19-27-10-5-6-17-36-27/h5-10,13-18,22,28-30H,11-12,19-21H2,1-4H3/t28-,29-,30-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008758
(CHEMBL3236362)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H37Cl2NO5S/c1-6-23(18-38(36,37)28(2,3)4)32-26(19-10-12-21(30)13-11-19)25(20-8-7-9-22(31)14-20)16-29(5,27(32)35)15-24(34)17-33/h7-14,23,25-26,33H,6,15-18H2,1-5H3/t23-,25+,26+,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008766
(CHEMBL3236654)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-26(20-8-9-20)37-30(21-10-12-23(34)13-11-21)25(22-6-5-7-24(35)14-22)15-33(4,31(37)40)16-29-36-17-28(43-29)27(39)18-38/h5-7,10-14,17,20,25-26,30,38H,8-9,15-16,18-19H2,1-4H3/t25-,26-,30-,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008760
(CHEMBL3236364)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H36Cl2N2O4S/c1-28(2,3)38(36,37)17-24(18-8-9-18)33-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(33)35)16-25(32)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H2,32,34)/t23-,24-,26-,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008754
(CHEMBL3236359)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2noc(=O)[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2N3O5S/c1-6-22(17-40(37,38)28(2,3)4)34-25(18-10-12-20(30)13-11-18)23(19-8-7-9-21(31)14-19)15-29(5,26(34)35)16-24-32-27(36)39-33-24/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33,36)/t22-,23+,25+,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008759
(CHEMBL3236363)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H36Cl2N2O4S/c1-6-22(17-37(35,36)27(2,3)4)32-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(32)34)16-24(31)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H2,31,33)/t22-,23+,25+,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008765
(CHEMBL3236638)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccccc2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H39Cl2NO3S/c1-33(2,3)41(39,40)22-30(24-13-14-24)37-31(25-15-17-27(35)18-16-25)29(26-11-8-12-28(36)19-26)21-34(4,32(37)38)20-23-9-6-5-7-10-23/h5-12,15-19,24,29-31H,13-14,20-22H2,1-4H3/t29-,30-,31-,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008753
(CHEMBL3236358)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2nnn[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H35Cl2N5O3S/c1-6-22(17-39(37,38)27(2,3)4)35-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(35)36)16-24-31-33-34-32-24/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,31,32,33,34)/t22-,23+,25+,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008755
(CHEMBL3236360)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)NS(=O)(=O)C(F)(F)F)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2F3N2O6S2/c1-6-22(17-43(39,40)27(2,3)4)36-25(18-10-12-20(30)13-11-18)23(19-8-7-9-21(31)14-19)15-28(5,26(36)38)16-24(37)35-44(41,42)29(32,33)34/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,35,37)/t22-,23+,25+,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008763
(CHEMBL3236636)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27+,28+,30+,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008751
(CHEMBL3236640)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nc(CC(O)=O)cs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-30(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(37)40)17-28-36-25(18-43-28)15-29(38)39/h5-7,10-14,18,20,26-27,30H,8-9,15-17,19H2,1-4H3,(H,38,39)/t26-,27-,30-,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008762
(CHEMBL3236635)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27-,28-,30-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50448963
(CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008756
(CHEMBL3236361)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H35Cl2NO6S/c1-29(2,3)40(38,39)17-24(18-8-9-18)33-26(19-10-12-21(31)13-11-19)23(20-6-5-7-22(32)14-20)15-30(4,28(33)37)16-25(34)27(35)36/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,35,36)/t23-,24-,26-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50448936
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50008750
(CHEMBL3236639)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cc(ccn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-12-25(35)13-11-22)28(23-6-5-7-26(36)16-23)19-34(4,32(38)41)18-27-17-24(31(39)40)14-15-37-27/h5-7,10-17,21,28-30H,8-9,18-20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50008748
(CHEMBL3236357)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)s2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,27-,30-,33-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MDMX (unknown origin) assessed as inhibition of interaction with p53 in serum free buffer incubated for 20 mins prior to p53 addi... |
J Med Chem 57: 2963-88 (2014)
Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J |
More data for this
Ligand-Target Pair | |
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