Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50042991 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)) | BDBM50434284
(CHEMBL2386349)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C40H49Cl2N5O3/c1-7-50-34-26-30(38(2,3)4)14-19-33(34)36-43-39(5,28-10-15-31(41)16-11-28)40(6,29-12-17-32(42)18-13-29)47(36)37(49)46-24-22-44(23-25-46)27-35(48)45-20-8-9-21-45/h10-19,26H,7-9,20-25,27H2,1-6H3/t39-,40+/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434287
(CHEMBL2386346)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434283
(CHEMBL2386350)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C40H49Cl2N5O4/c1-7-51-34-26-30(38(2,3)4)12-17-33(34)36-43-39(5,28-8-13-31(41)14-9-28)40(6,29-10-15-32(42)16-11-29)47(36)37(49)46-20-18-44(19-21-46)27-35(48)45-22-24-50-25-23-45/h8-17,26H,7,18-25,27H2,1-6H3/t39-,40+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434289
(CHEMBL2386344)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCC(F)(F)F)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C37H43Cl2F3N4O2/c1-7-48-31-24-27(34(2,3)4)12-17-30(31)32-43-35(5,25-8-13-28(38)14-9-25)36(6,26-10-15-29(39)16-11-26)46(32)33(47)45-22-20-44(21-23-45)19-18-37(40,41)42/h8-17,24H,7,18-23H2,1-6H3/t35-,36+/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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434290
(CHEMBL2386343)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CC1)C(C)=O)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C36H42Cl2N4O3/c1-8-45-31-23-27(34(3,4)5)13-18-30(31)32-39-35(6,25-9-14-28(37)15-10-25)36(7,26-11-16-29(38)17-12-26)42(32)33(44)41-21-19-40(20-22-41)24(2)43/h9-18,23H,8,19-22H2,1-7H3/t35-,36+/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 |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434288
(CHEMBL2386345)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCO)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C36H44Cl2N4O3/c1-7-45-31-24-27(34(2,3)4)12-17-30(31)32-39-35(5,25-8-13-28(37)14-9-25)36(6,26-10-15-29(38)16-11-26)42(32)33(44)41-20-18-40(19-21-41)22-23-43/h8-17,24,43H,7,18-23H2,1-6H3/t35-,36+/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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434292
(CHEMBL2386169)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCNCC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C34H40Cl2N4O2/c1-7-42-29-22-25(32(2,3)4)12-17-28(29)30-38-33(5,23-8-13-26(35)14-9-23)34(6,24-10-15-27(36)16-11-24)40(30)31(41)39-20-18-37-19-21-39/h8-17,22,37H,7,18-21H2,1-6H3/t33-,34+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434285
(CHEMBL2386348)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCNC(C)=O)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C38H47Cl2N5O3/c1-8-48-33-25-29(36(3,4)5)13-18-32(33)34-42-37(6,27-9-14-30(39)15-10-27)38(7,28-11-16-31(40)17-12-28)45(34)35(47)44-23-21-43(22-24-44)20-19-41-26(2)46/h9-18,25H,8,19-24H2,1-7H3,(H,41,46)/t37-,38+/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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434286
(CHEMBL2386347)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCNS(C)(=O)=O)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C37H47Cl2N5O4S/c1-8-48-32-25-28(35(2,3)4)13-18-31(32)33-41-36(5,26-9-14-29(38)15-10-26)37(6,27-11-16-30(39)17-12-27)44(33)34(45)43-23-21-42(22-24-43)20-19-40-49(7,46)47/h9-18,25,40H,8,19-24H2,1-7H3/t36-,37+/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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434280
(CHEMBL2386168)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCNC(=O)C1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C34H38Cl2N4O3/c1-7-43-28-20-24(32(2,3)4)12-17-27(28)30-38-33(5,22-8-13-25(35)14-9-22)34(6,23-10-15-26(36)16-11-23)40(30)31(42)39-19-18-37-29(41)21-39/h8-17,20H,7,18-19,21H2,1-6H3,(H,37,41)/t33-,34+/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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434291
(CHEMBL2386170)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCCCC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C35H41Cl2N3O2/c1-7-42-30-23-26(33(2,3)4)15-20-29(30)31-38-34(5,24-11-16-27(36)17-12-24)35(6,25-13-18-28(37)19-14-25)40(31)32(41)39-21-9-8-10-22-39/h11-20,23H,7-10,21-22H2,1-6H3/t34-,35+/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 | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434281
(CHEMBL2386167)Show SMILES CCOc1cc(ccc1C1=N[C@](C)([C@H](N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C37H46Cl2N4O4S/c1-7-47-32-25-28(36(2,3)4)13-18-31(32)34-40-37(5,27-11-16-30(39)17-12-27)33(26-9-14-29(38)15-10-26)43(34)35(44)42-22-20-41(21-23-42)19-8-24-48(6,45)46/h9-18,25,33H,7-8,19-24H2,1-6H3/t33-,37+/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 | 232 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434282
(CHEMBL2386351)Show SMILES CCOc1cc(ccc1C1=N[C@@](CC)(c2ccc(Cl)cc2)[C@](CC)(N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C40H52Cl2N4O4S/c1-8-39(29-12-17-32(41)18-13-29)40(9-2,30-14-19-33(42)20-15-30)46(37(47)45-25-23-44(24-26-45)22-11-27-51(7,48)49)36(43-39)34-21-16-31(38(4,5)6)28-35(34)50-10-3/h12-21,28H,8-11,22-27H2,1-7H3/t39-,40+/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 | 2.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
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