Found 15 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)) | BDBM50014089
(CHEMBL1236726)Show SMILES CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccccc1 |r,wD:8.7,(-5.37,10.95,;-4.13,10.05,;-2.72,10.67,;-4.29,8.51,;-3.04,7.61,;-3.2,6.08,;-1.96,5.17,;-.55,5.8,;-2.12,3.64,;-3.45,2.87,;-3.13,1.36,;-1.6,1.2,;-.97,2.61,;-.83,-.13,;-1.6,-1.46,;.71,-.13,;1.61,1.12,;3.08,.64,;4.41,1.41,;5.75,.64,;7.08,1.41,;5.75,-.9,;4.41,-1.67,;3.08,-.9,;1.61,-1.38,;1.14,-2.84,;2.04,-4.09,;1.14,-5.33,;-.33,-4.86,;-.33,-3.32,;-1.57,-2.41,;-2.98,-3.04,;-3.14,-4.57,;-4.55,-5.2,;-5.79,-4.29,;-7.2,-4.92,;-5.63,-2.76,;-4.23,-2.13,;3.58,-4.09,;4.35,-2.75,;5.89,-2.75,;6.66,-4.09,;5.89,-5.42,;4.35,-5.42,)| Show InChI InChI=1S/C35H38Cl2N6O/c1-40(2)17-7-18-41(3)28-16-19-42(22-28)35(44)33-31(29-15-14-27(37)20-30(29)39-33)34-32(25-8-5-4-6-9-25)38-23-43(34)21-24-10-12-26(36)13-11-24/h4-6,8-15,20,23,28,39H,7,16-19,21-22H2,1-3H3/t28-/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
| Article PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of fluorescent P4 peptide from recombinant human MDM2 (18 to 125) expressed in Escherichia coli BL21(DE3) RIL expression system after 30... |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50014093
(CHEMBL3260848)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)c(F)c1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-7-15(25)16(26)8-12)18-14-6-5-13(24)9-17(14)27-19(18)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50014092
(CHEMBL3259830 | US9187441, 9l)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(Cl)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C23H23Cl2N3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-6-14(24)7-5-13)18-16-9-8-15(25)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32) | 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
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of fluorescent P4 peptide from MDM2 (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50014094
(CHEMBL3260849)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39) | 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
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50436047
(CHEMBL1233798)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccccc1 |(-2.71,1.13,;-1.94,2.47,;-2.71,3.8,;-.4,2.47,;.5,3.71,;1.96,3.24,;3.3,4.01,;4.63,3.24,;5.97,4.01,;4.63,1.7,;3.3,.93,;1.96,1.7,;.5,1.22,;.02,-.24,;.93,-1.49,;.02,-2.73,;-1.44,-2.26,;-1.44,-.72,;-2.69,.19,;-4.09,-.44,;-4.25,-1.97,;-5.66,-2.6,;-6.91,-1.69,;-8.31,-2.32,;-6.75,-.16,;-5.34,.47,;2.47,-1.49,;3.24,-.15,;4.78,-.15,;5.55,-1.49,;4.78,-2.82,;3.24,-2.82,)| Show InChI InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| 916 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of fluorescent P4 peptide from recombinant human MDM2 (18 to 125) expressed in Escherichia coli BL21(DE3) RIL expression system after 30... |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50014090
(CHEMBL3260846)Show SMILES CC(C)C[C@H](NC(C(=O)NCc1ccccc1)c1c([nH]c2cc(Cl)ccc12)C(=O)NO)C(=O)NO |r| Show InChI InChI=1S/C24H28ClN5O5/c1-13(2)10-18(22(31)29-34)28-20(23(32)26-12-14-6-4-3-5-7-14)19-16-9-8-15(25)11-17(16)27-21(19)24(33)30-35/h3-9,11,13,18,20,27-28,34-35H,10,12H2,1-2H3,(H,26,32)(H,29,31)(H,30,33)/t18-,20?/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
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of fluorescent P4 peptide from recombinant human MDM2 (18 to 125) expressed in Escherichia coli BL21(DE3) RIL expression system after 30... |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transcription factor 7-like 2
(Homo sapiens (Human)) | BDBM50014098
(CHEMBL3260852)Show InChI InChI=1S/C10H9N5O2/c16-10-7-3-1-6(5-8(7)17-13-10)2-4-9-11-14-15-12-9/h1,3,5H,2,4H2,(H,13,16)(H,11,12,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of beta-catenin/T cell factor (unknown origin) |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50014148
(CHEMBL3260853)Show SMILES COC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 |r| Show InChI InChI=1S/C33H33ClN4O9/c1-47-33(46)25(10-11-29(40)41)37-32(45)27(17-30(42)43)38-31(44)26(13-18-6-7-19-4-2-3-5-20(19)12-18)36-28(39)16-23-15-21-14-22(34)8-9-24(21)35-23/h2-9,12,14-15,25-27,35H,10-11,13,16-17H2,1H3,(H,36,39)(H,37,45)(H,38,44)(H,40,41)(H,42,43)/t25-,26-,27-/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
| 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Competitive binding affinity to human beta-catenin (142 to 686) assessed as inhibition of C-terminally fluorescein-labeled Tcf4 interaction after 3 h... |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50014091
(CHEMBL3260847)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccccc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C23H24ClN3O4/c1-23(2,3)26-21(29)20(27(13-28)12-14-7-5-4-6-8-14)18-16-10-9-15(24)11-17(16)25-19(18)22(30)31/h4-11,13,20,25H,12H2,1-3H3,(H,26,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of fluorescent P4 peptide from MDM2 (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50014132
(CHEMBL2323032)Show InChI InChI=1S/C10H10N6O/c17-16-9-3-1-7(5-8(9)6-11-16)2-4-10-12-14-15-13-10/h1,3,5-6,17H,2,4H2,(H,12,13,14,15) | 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
| 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Competitive binding affinity to human beta-catenin (142 to 686) assessed as inhibition of C-terminally fluorescein-labeled Tcf4 interaction after 3 h... |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | |
Elongin-C
(Homo sapiens (Human)) | BDBM50014097
(CHEMBL3260851)Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1 |r| Show InChI InChI=1S/C24H26N4O3S/c1-14-19(4-3-5-20(14)25)24(31)28-12-18(29)10-21(28)23(30)26-11-16-6-8-17(9-7-16)22-15(2)27-13-32-22/h3-9,13,18,21,29H,10-12,25H2,1-2H3,(H,26,30)/t18-,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of FAM-DEALAHyp-YIPD from VHL/elongins-B/elonginC (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Elongin-C
(Homo sapiens (Human)) | BDBM50446138
(CHEMBL3108881)Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1 |r| Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of FAM-DEALAHyp-YIPD from 6xHis-tagged VHL (1 to 213)/elongins-B/elonginC (unknown origin) expressed in Escherichia coli BL21 after 1 mi... |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Elongin-B/Elongin-C/von Hippel-Lindau disease tumor suppressor
(Homo sapiens (Human)) | BDBM50014095
(CHEMBL3260850)Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2cccc(Cl)c2)on1 |r| Show InChI InChI=1S/C18H20ClN3O4/c1-11-5-15(26-21-11)8-17(24)22-10-14(23)7-16(22)18(25)20-9-12-3-2-4-13(19)6-12/h2-6,14,16,23H,7-10H2,1H3,(H,20,25)/t14-,16+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.17E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of FAM-DEALAHyp-YIPD from 6xHis-tagged VHL (1 to 213)/elongins-B/elonginC (unknown origin) expressed in Escherichia coli BL21 after 1 mi... |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | |
Elongin-C
(Homo sapiens (Human)) | BDBM50446134
(CHEMBL3108877)Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Displacement of FAM-DEALAHyp-YIPD from VHL/elongins-B/elonginC (unknown origin) by isothermal titration calorimetric analysis |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interferon alpha/beta receptor 1
(Homo sapiens (Human)) | BDBM50014088
(CHEMBL1617534 | DNDI1417107)Show InChI InChI=1S/C18H17NS/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18/h2-12,19H,13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Binding affinity to IFNAR (unknown origin) assessed as inhibition of interaction with IFN-alpha |
Bioorg Med Chem Lett 24: 2546-54 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05 |
More data for this Ligand-Target Pair | |