Found 20 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)) | BDBM50446191
(CHEMBL3109036)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21)C(N)=O |r| Show InChI InChI=1S/C31H31Cl2FN4O4/c1-30(2,3)14-23-31(18-10-9-16(32)13-21(18)37-29(31)41)24(17-6-5-7-19(33)25(17)34)26(38-23)28(40)36-20-11-8-15(27(35)39)12-22(20)42-4/h5-13,23-24,26,38H,14H2,1-4H3,(H2,35,39)(H,36,40)(H,37,41)/t23-,24-,26+,31+/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446197
(CHEMBL3109042)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ncc21)C(N)=O |r| Show InChI InChI=1S/C30H30Cl2FN5O4/c1-29(2,3)12-21-30(16-13-35-22(32)11-19(16)37-28(30)41)23(15-6-5-7-17(31)24(15)33)25(38-21)27(40)36-18-9-8-14(26(34)39)10-20(18)42-4/h5-11,13,21,23,25,38H,12H2,1-4H3,(H2,34,39)(H,36,40)(H,37,41)/t21-,23-,25+,30+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446196
(CHEMBL3109041)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)sc21)C(O)=O |r| Show InChI InChI=1S/C29H28Cl2FN3O5S/c1-28(2,3)12-19-29(24-17(34-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(35-19)25(36)33-16-9-8-13(26(37)38)10-18(16)40-4/h5-11,19,21,23,35H,12H2,1-4H3,(H,33,36)(H,34,39)(H,37,38)/t19-,21-,23+,29+/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446195
(CHEMBL3109040)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)sc21)C(N)=O |r| Show InChI InChI=1S/C29H29Cl2FN4O4S/c1-28(2,3)12-19-29(24-17(35-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(36-19)26(38)34-16-9-8-13(25(33)37)10-18(16)40-4/h5-11,19,21,23,36H,12H2,1-4H3,(H2,33,37)(H,34,38)(H,35,39)/t19-,21-,23+,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446204
(CHEMBL3109055)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1nc(Cl)ccc21)C(N)=O |r| Show InChI InChI=1S/C30H30Cl2FN5O4/c1-29(2,3)13-20-30(16-9-11-21(32)37-26(16)38-28(30)41)22(15-6-5-7-17(31)23(15)33)24(36-20)27(40)35-18-10-8-14(25(34)39)12-19(18)42-4/h5-12,20,22,24,36H,13H2,1-4H3,(H2,34,39)(H,35,40)(H,37,38,41)/t20-,22-,24+,30+/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446207
(CHEMBL3109051)Show SMILES COc1cc(ccc1NC(=O)C1NC(CC(C)(C)C)C2(C1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ncc21)C(N)=O Show InChI InChI=1S/C30H30Cl2FN5O4/c1-29(2,3)12-21-30(16-13-35-22(32)11-19(16)37-28(30)41)23(15-6-5-7-17(31)24(15)33)25(38-21)27(40)36-18-9-8-14(26(34)39)10-20(18)42-4/h5-11,13,21,23,25,38H,12H2,1-4H3,(H2,34,39)(H,36,40)(H,37,41) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446205
(CHEMBL3109049)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1nc(Cl)ccc21)C(O)=O |r| Show InChI InChI=1S/C30H29Cl2FN4O5/c1-29(2,3)13-20-30(16-9-11-21(32)36-25(16)37-28(30)41)22(15-6-5-7-17(31)23(15)33)24(35-20)26(38)34-18-10-8-14(27(39)40)12-19(18)42-4/h5-12,20,22,24,35H,13H2,1-4H3,(H,34,38)(H,39,40)(H,36,37,41)/t20-,22-,24+,30+/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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446201
(CHEMBL3109046)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1nc(Cl)ncc21)C(O)=O |r| Show InChI InChI=1S/C29H28Cl2FN5O5/c1-28(2,3)11-19-29(15-12-33-27(31)37-23(15)36-26(29)41)20(14-6-5-7-16(30)21(14)32)22(35-19)24(38)34-17-9-8-13(25(39)40)10-18(17)42-4/h5-10,12,19-20,22,35H,11H2,1-4H3,(H,34,38)(H,39,40)(H,33,36,37,41)/t19-,20-,22+,29+/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446199
(CHEMBL3109044)Show SMILES COc1cc(ccc1NC(=O)C1NC(CC(C)(C)C)C2(C1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)sc21)C(O)=O Show InChI InChI=1S/C29H28Cl2FN3O5S/c1-28(2,3)12-19-29(24-17(34-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(35-19)25(36)33-16-9-8-13(26(37)38)10-18(16)40-4/h5-11,19,21,23,35H,12H2,1-4H3,(H,33,36)(H,34,39)(H,37,38) | 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 Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446198
(CHEMBL3109043)Show SMILES COc1cc(ccc1NC(=O)C1NC(CC(C)(C)C)C2(C1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)sc21)C(N)=O Show InChI InChI=1S/C29H29Cl2FN4O4S/c1-28(2,3)12-19-29(24-17(35-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(36-19)26(38)34-16-9-8-13(25(33)37)10-18(16)40-4/h5-11,19,21,23,36H,12H2,1-4H3,(H2,33,37)(H,34,38)(H,35,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446200
(CHEMBL3109045)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1nc(Cl)ncc21)C(N)=O |r| Show InChI InChI=1S/C29H29Cl2FN6O4/c1-28(2,3)11-19-29(15-12-34-27(31)38-24(15)37-26(29)41)20(14-6-5-7-16(30)21(14)32)22(36-19)25(40)35-17-9-8-13(23(33)39)10-18(17)42-4/h5-10,12,19-20,22,36H,11H2,1-4H3,(H2,33,39)(H,35,40)(H,34,37,38,41)/t19-,20-,22+,29+/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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446203
(CHEMBL3109048)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)cnc21)C(O)=O |r| Show InChI InChI=1S/C30H29Cl2FN4O5/c1-29(2,3)12-21-30(25-19(36-28(30)41)11-15(31)13-34-25)22(16-6-5-7-17(32)23(16)33)24(37-21)26(38)35-18-9-8-14(27(39)40)10-20(18)42-4/h5-11,13,21-22,24,37H,12H2,1-4H3,(H,35,38)(H,36,41)(H,39,40)/t21-,22-,24+,30+/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 Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446208
(CHEMBL3109052)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ncc21)C(O)=O |r| Show InChI InChI=1S/C30H29Cl2FN4O5/c1-29(2,3)12-21-30(16-13-34-22(32)11-19(16)36-28(30)41)23(15-6-5-7-17(31)24(15)33)25(37-21)26(38)35-18-9-8-14(27(39)40)10-20(18)42-4/h5-11,13,21,23,25,37H,12H2,1-4H3,(H,35,38)(H,36,41)(H,39,40)/t21-,23-,25+,30+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446210
(CHEMBL3109054)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1ccncc21)C(O)=O |r| Show InChI InChI=1S/C30H30ClFN4O5/c1-29(2,3)13-22-30(17-14-33-11-10-19(17)35-28(30)40)23(16-6-5-7-18(31)24(16)32)25(36-22)26(37)34-20-9-8-15(27(38)39)12-21(20)41-4/h5-12,14,22-23,25,36H,13H2,1-4H3,(H,34,37)(H,35,40)(H,38,39)/t22-,23-,25+,30+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446202
(CHEMBL3109047)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)cnc21)C(N)=O |r| Show InChI InChI=1S/C30H30Cl2FN5O4/c1-29(2,3)12-21-30(25-19(37-28(30)41)11-15(31)13-35-25)22(16-6-5-7-17(32)23(16)33)24(38-21)27(40)36-18-9-8-14(26(34)39)10-20(18)42-4/h5-11,13,21-22,24,38H,12H2,1-4H3,(H2,34,39)(H,36,40)(H,37,41)/t21-,22-,24+,30+/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 Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446206
(CHEMBL3109050)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1ncccc21)C(O)=O |r| Show InChI InChI=1S/C30H30ClFN4O5/c1-29(2,3)14-21-30(17-8-6-12-33-25(17)36-28(30)40)22(16-7-5-9-18(31)23(16)32)24(35-21)26(37)34-19-11-10-15(27(38)39)13-20(19)41-4/h5-13,21-22,24,35H,14H2,1-4H3,(H,34,37)(H,38,39)(H,33,36,40)/t21-,22-,24+,30+/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 Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446193
(CHEMBL3109038)Show SMILES COc1cc(ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)[C@@]2([C@@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)sc21)C(O)=O |r| Show InChI InChI=1S/C29H28Cl2FN3O5S/c1-28(2,3)12-19-29(24-17(34-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(35-19)25(36)33-16-9-8-13(26(37)38)10-18(16)40-4/h5-11,19,21,23,35H,12H2,1-4H3,(H,33,36)(H,34,39)(H,37,38)/t19-,21-,23+,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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446209
(CHEMBL3109053)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1ccncc21)C(N)=O |r| Show InChI InChI=1S/C30H31ClFN5O4/c1-29(2,3)13-22-30(17-14-34-11-10-19(17)36-28(30)40)23(16-6-5-7-18(31)24(16)32)25(37-22)27(39)35-20-9-8-15(26(33)38)12-21(20)41-4/h5-12,14,22-23,25,37H,13H2,1-4H3,(H2,33,38)(H,35,39)(H,36,40)/t22-,23-,25+,30+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446192
(CHEMBL3109037)Show SMILES COc1cc(ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)[C@@]2([C@@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)sc21)C(N)=O |r| Show InChI InChI=1S/C29H29Cl2FN4O4S/c1-28(2,3)12-19-29(24-17(35-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(36-19)26(38)34-16-9-8-13(25(33)37)10-18(16)40-4/h5-11,19,21,23,36H,12H2,1-4H3,(H2,33,37)(H,34,38)(H,35,39)/t19-,21-,23+,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50446194
(CHEMBL3109039)Show SMILES COc1cc(ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)[C@@]2([C@@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ncc21)C(N)=O |r| Show InChI InChI=1S/C30H30Cl2FN5O4/c1-29(2,3)12-21-30(16-13-35-22(32)11-19(16)37-28(30)41)23(15-6-5-7-17(31)24(15)33)25(38-21)27(40)36-18-9-8-14(26(34)39)10-20(18)42-4/h5-11,13,21,23,25,38H,12H2,1-4H3,(H2,34,39)(H,36,40)(H,37,41)/t21-,23-,25+,30+/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 | 5.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay |
ACS Med Chem Lett 5: 124-7 (2014)
Article DOI: 10.1021/ml400359z
BindingDB Entry DOI: 10.7270/Q20V8F7S |
More data for this
Ligand-Target Pair | |
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