Found 706 hits with Last Name = 'shaffer' and Initial = 'p' 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 |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598740
(CHEMBL5175227)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598739
(CHEMBL5188215)Show SMILES COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1)n1cc(cn1)-c1cnnn1C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598738
(CHEMBL5204065)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598724
(CHEMBL5170592)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598737
(CHEMBL5205631)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598741
(CHEMBL5204894)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598725
(CHEMBL5185397)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598743
(CHEMBL5178223)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598734
(CHEMBL5197480)Show SMILES Cc1ncsc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598745
(CHEMBL5198823)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccn(n1)C(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598736
(CHEMBL5208095)Show SMILES Cn1cncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598744
(CHEMBL5190323)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cn1cc(F)cn1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598732
(CHEMBL5192284)Show SMILES [O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1c(F)cncc1Cl)-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598742
(CHEMBL5182855)Show SMILES COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1)n1cc(cn1)-c1cnnn1C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598729
(CHEMBL5195600)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598727
(CHEMBL5198338)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598735
(CHEMBL5193267)Show SMILES Cn1nccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598730
(CHEMBL5204289)Show SMILES Cc1nc(N)ccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598731
(CHEMBL5198972)Show SMILES Nc1ccc(-c2cnn(c2)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2-n2cnnn2)c(F)n1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598733
(CHEMBL5188316)Show SMILES [O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1cncs1)-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598726
(CHEMBL5171252)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598728
(CHEMBL5180591)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
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)) | 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)) | BDBM50069784
(CHEMBL3407569)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)NC23CCC(CC2)(CC3)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C38H48Cl2N2O6S/c1-35(2,3)49(47,48)23-30(24-8-9-24)42-32(25-10-12-27(39)13-11-25)29(26-6-5-7-28(40)20-26)21-36(4,33(42)44)22-31(43)41-38-17-14-37(15-18-38,16-19-38)34(45)46/h5-7,10-13,20,24,29-30,32H,8-9,14-19,21-23H2,1-4H3,(H,41,43)(H,45,46)/t29-,30-,32-,36-,37?,38?/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 human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for... |
J Med Chem 57: 10499-511 (2014)
Article DOI: 10.1021/jm501550p BindingDB Entry DOI: 10.7270/Q2571DPW |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50448967
(CHEMBL3125533)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](CC(F)(F)F)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H32Cl2F3NO5S/c1-26(2,3)40(38,39)16-21(13-28(31,32)33)34-24(17-8-10-19(29)11-9-17)22(18-6-5-7-20(30)12-18)14-27(4,25(34)37)15-23(35)36/h5-12,21-22,24H,13-16H2,1-4H3,(H,35,36)/t21-,22+,24+,27+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay |
J Med Chem 57: 1454-72 (2014)
Article DOI: 10.1021/jm401753e BindingDB Entry DOI: 10.7270/Q24M960Z |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50448966
(CHEMBL3125534)Show SMILES C[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/C27H33Cl2NO5S/c1-17(16-36(34,35)26(2,3)4)30-24(18-9-11-20(28)12-10-18)22(19-7-6-8-21(29)13-19)14-27(5,25(30)33)15-23(31)32/h6-13,17,22,24H,14-16H2,1-5H3,(H,31,32)/t17-,22+,24+,27+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay |
J Med Chem 57: 1454-72 (2014)
Article DOI: 10.1021/jm401753e BindingDB Entry DOI: 10.7270/Q24M960Z |
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 human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay |
J Med Chem 57: 1454-72 (2014)
Article DOI: 10.1021/jm401753e BindingDB Entry DOI: 10.7270/Q24M960Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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)) | 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)) | 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)) | BDBM50069769
(CHEMBL3407555)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)c1F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-23(17-8-9-17)33-26(18-10-12-19(30)13-11-18)21(20-6-5-7-22(31)25(20)32)14-29(4,27(33)36)15-24(34)35/h5-7,10-13,17,21,23,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,23-,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 human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for... |
J Med Chem 57: 10499-511 (2014)
Article DOI: 10.1021/jm501550p BindingDB Entry DOI: 10.7270/Q2571DPW |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM144636
(US8952036, Ex. 4)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)c(F)c1 |r| Show InChI InChI=1S/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-24(17-8-9-17)33-26(19-10-11-22(31)23(32)13-19)21(18-6-5-7-20(30)12-18)14-29(4,27(33)36)15-25(34)35/h5-7,10-13,17,21,24,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,24-,26-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for... |
J Med Chem 57: 10499-511 (2014)
Article DOI: 10.1021/jm501550p BindingDB Entry DOI: 10.7270/Q2571DPW |
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 human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for... |
J Med Chem 57: 10499-511 (2014)
Article DOI: 10.1021/jm501550p BindingDB Entry DOI: 10.7270/Q2571DPW |
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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: 2472-88 (2014)
Article DOI: 10.1021/jm401767k BindingDB Entry DOI: 10.7270/Q2C24XZZ |
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) |