Found 46 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)) | BDBM50165695
(CHEMBL3797513)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(O)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H19NO6/c16-8-10-11(17)12(18)13(19)14(20-10)21-15-7-6-9-4-2-1-3-5-9/h1-5,7,10-14,16-19H,6,8H2/b15-7+/t10?,11?,12-,13?,14-/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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165701
(CHEMBL3798136)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(N)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C19H21NO6/c21-11-15-16(22)17(23)18(24)19(25-15)26-20-10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-10,15-19,21-24H,11H2/b20-10+/t15?,16?,17-,18?,19-/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 | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165697
(CHEMBL3799374)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(=O)NC)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C20H23NO6/c22-12-16-17(23)18(24)19(25)20(26-16)27-21-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,15-20,22-25H,12H2/b21-11+/t16?,17?,18-,19?,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165700
(CHEMBL3800127)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccc(cn1)C(N)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H16N2O8/c16-6-9-10(17)11(18)12(19)13(22-9)23-14-5-7-1-3-8(4-2-7)15(20)21/h1-5,9-13,16-19H,6H2 | 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 | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165721
(CHEMBL3799375)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccccn1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H16N2O8/c16-6-9-10(17)11(18)12(19)13(22-9)23-14-5-7-2-1-3-8(4-7)15(20)21/h1-5,9-13,16-19H,6H2 | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165705
(CHEMBL3799552)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(CN)n1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H17NO8/c15-5-9-10(18)11(19)12(20)13(21-9)22-14-4-6-1-2-7(16)8(17)3-6/h1-4,9-13,15-20H,5H2/b14-4+/t9?,10?,11-,12?,13-/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 | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165719
(CHEMBL3797331)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccncc1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C16H18N2O6/c19-8-12-13(20)14(21)15(22)16(23-12)24-17-7-10-6-5-9-3-1-2-4-11(9)18-10/h1-7,12-16,19-22H,8H2/b17-7+/t12?,13?,14-,15?,16-/m0/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 | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165720
(CHEMBL3798260)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccnc1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H16FNO6/c14-8-4-2-1-3-7(8)5-15-21-13-12(19)11(18)10(17)9(6-16)20-13/h1-5,9-13,16-19H,6H2/b15-5+/t9?,10?,11-,12?,13-/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 | 267 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165707
(CHEMBL3798271)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cc(ccn1)C#N)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H17NO7/c15-6-9-10(17)11(18)12(19)13(20-9)21-14-5-7-1-3-8(16)4-2-7/h1-5,9-13,15-19H,6H2/b14-5+/t9?,10?,11-,12?,13-/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 | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165718
(CHEMBL3798706)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ncccn1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H17NO8/c15-5-9-10(18)11(19)12(20)13(21-9)22-14-4-6-1-2-7(16)3-8(6)17/h1-4,9-13,15-20H,5H2/b14-4+/t9?,10?,11-,12?,13-/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 | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165716
(CHEMBL3797521)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccncn1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C7H13NO6/c1-8-14-7-6(12)5(11)4(10)3(2-9)13-7/h3-7,9-12H,1-2H2/t3?,4?,5-,6?,7-/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 | 376 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165696
(CHEMBL3799031)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(=O)OC)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C17H19NO6/c19-9-13-14(20)15(21)16(22)17(23-13)24-18-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8,13-17,19-22H,9H2/b18-8+/t13?,14?,15-,16?,17-/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 | 392 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165723
(CHEMBL3798014)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(c1)C#N)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C21H24N2O6/c1-2-23-15-6-4-3-5-13(15)14-9-12(7-8-16(14)23)10-22-29-21-20(27)19(26)18(25)17(11-24)28-21/h3-10,17-21,24-27H,2,11H2,1H3/b22-10+/t17?,18?,19-,20?,21-/m0/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 | 399 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165708
(CHEMBL3798889)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccc(cn1)C#N)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H16F3NO7/c15-14(16,17)24-8-4-2-1-3-7(8)5-18-25-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2/b18-5+/t9?,10?,11-,12?,13-/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 | 492 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165715
(CHEMBL3800178)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cncnc1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H19NO8/c1-21-8-4-2-3-7(10(8)17)5-15-23-14-13(20)12(19)11(18)9(6-16)22-14/h2-5,9,11-14,16-20H,6H2,1H3/b15-5+/t9?,11?,12-,13?,14-/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 | 525 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165728
(CHEMBL3798182)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(C)c1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C17H25NO6/c1-17(2,3)11-6-4-10(5-7-11)8-18-24-16-15(22)14(21)13(20)12(9-19)23-16/h4-8,12-16,19-22H,9H2,1-3H3/b18-8+/t12?,13?,14-,15?,16-/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 | 668 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165709
(CHEMBL3799050)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C#N)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H19NO7/c1-7-2-3-9(17)8(4-7)5-15-22-14-13(20)12(19)11(18)10(6-16)21-14/h2-5,10-14,16-20H,6H2,1H3/b15-5+/t10?,11?,12-,13?,14-/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 | 686 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165704
(CHEMBL3798867)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccc(CN)cn1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H19NO8/c1-21-8-3-2-7(9(17)4-8)5-15-23-14-13(20)12(19)11(18)10(6-16)22-14/h2-5,10-14,16-20H,6H2,1H3/b15-5+/t10?,11?,12-,13?,14-/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 | 801 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165717
(CHEMBL3799390)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cnccn1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H25NO11/c1-5(19)15-7(3-17)10(22)12(8(20)4-18)25-14-6(2-16)9(21)11(23)13(24)26-14/h3,6-14,16,18,20-24H,2,4H2,1H3,(H,15,19)/t6-,7+,8-,9+,10-,11+,12-,13+,14+/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 | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165713
(CHEMBL3797577)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(OC)n1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H16N2O9/c16-5-9-10(18)11(19)12(20)13(23-9)24-14-4-6-3-7(15(21)22)1-2-8(6)17/h1-4,9-13,16-20H,5H2 | 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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165710
(CHEMBL3799367)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(Br)n1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C11H15NO7/c13-5-7-8(14)9(15)10(16)11(18-7)19-12-4-6-2-1-3-17-6/h1-4,7-11,13-16H,5H2/b12-4+/t7?,8?,9-,10?,11-/m0/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 | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165722
(CHEMBL3798021)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H16F3NO7/c15-14(16,17)24-8-3-1-2-7(4-8)5-18-25-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2/b18-5+/t9?,10?,11-,12?,13-/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 | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165845
(CHEMBL3797879)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Sc1ccccc1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C34H35F6N3O3S/c1-2-7-29-32(46-24-12-10-23(11-13-24)33(35,36)37,31(45)42-20-15-26(16-21-42)47-25-8-4-3-5-9-25)17-6-19-43(29)30(44)27-22-41-18-14-28(27)34(38,39)40/h3-5,8-14,18,22,26,29H,2,6-7,15-17,19-21H2,1H3/t29-,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 | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165712
(CHEMBL3798150)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(F)(F)F)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H16BrNO7/c14-7-1-2-8(17)6(3-7)4-15-22-13-12(20)11(19)10(18)9(5-16)21-13/h1-4,9-13,16-20H,5H2/b15-4+/t9?,10?,11-,12?,13-/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 | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165726
(CHEMBL3797962)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(Cl)c1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165694
(CHEMBL3139629)Show SMILES FC(F)(F)c1ccc(OC2(CCCN(C2)C(=O)c2cnccc2C(F)(F)F)C(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C19H21NO6/c21-11-15-16(22)17(23)18(24)19(25-15)26-20-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-10,15-19,21-24H,11H2/b20-10+/t15?,16?,17-,18?,19-/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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of Ac-Phe-Arg-Dpr(fluorophore)-Ac6c-(6-Br)Trp-Glu-Glu-Leu-NH2 from human N-terminal His6-tagged MDM2 (17 to 125 residues) expressed in E... |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165711
(CHEMBL3798126)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(Cl)n1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C13H16BrNO6/c14-8-3-1-7(2-4-8)5-15-21-13-12(19)11(18)10(17)9(6-16)20-13/h1-5,9-13,16-19H,6H2/b15-5+/t9?,10?,11-,12?,13-/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 | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165706
(CHEMBL3797694)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ncccc1C#N)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C8H14ClNO6/c9-1-2-10-16-8-7(14)6(13)5(12)4(3-11)15-8/h2,4-8,11-14H,1,3H2/b10-2+/t4?,5?,6-,7?,8-/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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165846
(CHEMBL3800543)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccccc1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C34H35F6N3O4/c1-2-7-29-32(47-26-12-10-23(11-13-26)33(35,36)37,31(45)42-20-15-25(16-21-42)46-24-8-4-3-5-9-24)17-6-19-43(29)30(44)27-22-41-18-14-28(27)34(38,39)40/h3-5,8-14,18,22,25,29H,2,6-7,15-17,19-21H2,1H3/t29-,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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165727
(CHEMBL3800119)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccccc1Cl)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C8H15NO6/c1-2-9-15-8-7(13)6(12)5(11)4(3-10)14-8/h2,4-8,10-13H,3H2,1H3/b9-2+/t4?,5?,6-,7?,8-/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 | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165703
(CHEMBL3800088)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cc(CN)ccn1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C11H14N2O9/c14-4-6-8(15)9(16)10(17)11(21-6)22-12-3-5-1-2-7(20-5)13(18)19/h1-3,6,8-11,14-17H,4H2 | 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 | 4.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165725
(CHEMBL3799970)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccc(Cl)cc1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C15H21NO6/c17-9-11-12(18)13(19)14(20)15(21-11)22-16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,8,11-15,17-20H,4,7,9H2/b16-8+/t11?,12?,13-,14?,15-/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 | 4.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165698
(CHEMBL3798875)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ncccc1C(N)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C12H16N2O6/c15-6-8-9(16)10(17)11(18)12(19-8)20-14-5-7-2-1-3-13-4-7/h1-5,8-12,15-18H,6H2/b14-5+/t8?,9?,10-,11?,12-/m0/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 | 4.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165714
(CHEMBL3800561)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(C)n1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C20H23NO7/c22-11-16-17(23)18(24)19(25)20(27-16)28-21-10-13-6-8-15(9-7-13)26-12-14-4-2-1-3-5-14/h1-10,16-20,22-25H,11-12H2/b21-10+/t16?,17?,18-,19?,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165844
(CHEMBL3799179)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C35H37F6N3O3/c1-2-7-30-33(47-27-12-10-26(11-13-27)34(36,37)38,32(46)43-20-15-25(16-21-43)22-24-8-4-3-5-9-24)17-6-19-44(30)31(45)28-23-42-18-14-29(28)35(39,40)41/h3-5,8-14,18,23,25,30H,2,6-7,15-17,19-22H2,1H3/t30-,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 | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165749
(CHEMBL3799712)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccccc1C)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C35H37F6N3O4/c1-3-7-30-33(48-26-12-10-24(11-13-26)34(36,37)38,17-6-19-44(30)31(45)27-22-42-18-14-28(27)35(39,40)41)32(46)43-20-15-25(16-21-43)47-29-9-5-4-8-23(29)2/h4-5,8-14,18,22,25,30H,3,6-7,15-17,19-21H2,1-2H3/t30-,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 | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165702
(CHEMBL3797705)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ncccc1CN)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H21NO6/c16-6-10-11(17)12(18)13(19)14(20-10)21-15-5-9-4-7-1-2-8(9)3-7/h1-2,5,7-14,16-19H,3-4,6H2/b15-5-/t7-,8?,9?,10?,11?,12-,13?,14-/m0/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 | 7.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165724
(CHEMBL3797254)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccccc1C#N)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C19H21NO6/c21-11-15-16(22)17(23)18(24)19(25-15)26-20-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10,15-19,21-24H,11H2/b20-10+/t15?,16?,17-,18?,19-/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 | 8.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165699
(CHEMBL3797454)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cc(ccn1)C(N)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C34H35F6N5O5/c1-2-4-27-32(50-24-7-5-22(6-8-24)33(35,36)37,13-3-16-45(27)30(47)25-20-42-14-10-26(25)34(38,39)40)31(48)44-17-11-23(12-18-44)49-28-19-21(29(41)46)9-15-43-28/h5-10,14-15,19-20,23,27H,2-4,11-13,16-18H2,1H3,(H2,41,46)/t27-,32+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165838
(CHEMBL3800573)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1ccc(C)cc1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C35H37F6N3O4/c1-3-5-30-33(48-27-12-8-24(9-13-27)34(36,37)38,17-4-19-44(30)31(45)28-22-42-18-14-29(28)35(39,40)41)32(46)43-20-15-26(16-21-43)47-25-10-6-23(2)7-11-25/h6-14,18,22,26,30H,3-5,15-17,19-21H2,1-2H3/t30-,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 | 8.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165834
(CHEMBL3797816)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Sc1ccc(C)cc1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C35H37F6N3O3S/c1-3-5-30-33(47-25-10-8-24(9-11-25)34(36,37)38,17-4-19-44(30)31(45)28-22-42-18-14-29(28)35(39,40)41)32(46)43-20-15-27(16-21-43)48-26-12-6-23(2)7-13-26/h6-14,18,22,27,30H,3-5,15-17,19-21H2,1-2H3/t30-,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 | 9.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165830
(CHEMBL3800540)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(Cc2ccc(C)cc2)CC1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C36H39F6N3O3/c1-3-5-31-34(48-28-12-10-27(11-13-28)35(37,38)39,17-4-19-45(31)32(46)29-23-43-18-14-30(29)36(40,41)42)33(47)44-20-15-26(16-21-44)22-25-8-6-24(2)7-9-25/h6-14,18,23,26,31H,3-5,15-17,19-22H2,1-2H3/t31-,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 | 2.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50165695
(CHEMBL3797513)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(O)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H19NO6/c16-8-10-11(17)12(18)13(19)14(20-10)21-15-7-6-9-4-2-1-3-5-9/h1-5,7,10-14,16-19H,6,8H2/b15-7+/t10?,11?,12-,13?,14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50165695
(CHEMBL3797513)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(O)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H19NO6/c16-8-10-11(17)12(18)13(19)14(20-10)21-15-7-6-9-4-2-1-3-5-9/h1-5,7,10-14,16-19H,6,8H2/b15-7+/t10?,11?,12-,13?,14-/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50165695
(CHEMBL3797513)Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(O)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C14H19NO6/c16-8-10-11(17)12(18)13(19)14(20-10)21-15-7-6-9-4-2-1-3-5-9/h1-5,7,10-14,16-19H,6,8H2/b15-7+/t10?,11?,12-,13?,14-/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50165694
(CHEMBL3139629)Show SMILES FC(F)(F)c1ccc(OC2(CCCN(C2)C(=O)c2cnccc2C(F)(F)F)C(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C19H21NO6/c21-11-15-16(22)17(23)18(24)19(25-15)26-20-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-10,15-19,21-24H,11H2/b20-10+/t15?,16?,17-,18?,19-/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 | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 by temperature dependent fluorescence assay |
Bioorg Med Chem Lett 26: 2735-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD |
More data for this
Ligand-Target Pair | |
Search and Browse
