Found 39 hits with Last Name = 'wisniewski' and Initial = 'ja' 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 | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501088
(CHEMBL3819630)Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(NC(=O)c2ccc(O[C@H]3CCNC3)c(c2)-c2ccc(F)c(F)c2)ccc1OC1CCNC1 |r| Show InChI InChI=1S/C33H30F3N3O3.2ClH/c34-23-5-1-20(2-6-23)28-17-24(7-10-32(28)42-26-12-14-38-19-26)39-33(40)22-4-9-31(41-25-11-13-37-18-25)27(15-22)21-3-8-29(35)30(36)16-21;;/h1-10,15-17,25-26,37-38H,11-14,18-19H2,(H,39,40);2*1H/t25-,26?;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.10E+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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
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 | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501080
(CHEMBL3819506)Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1 |r| Show InChI InChI=1S/C32H42FN5O3.2ClH/c33-26-18-25(19-27(21-26)36-12-10-34-11-13-36)32(40)38-16-14-37(15-17-38)31(39)24-6-7-30(41-28-8-9-35-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,34-35H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.20E+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 Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50371232
(CARNOSIC ACID)Show SMILES CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(O)=O)c2c(O)c1O |r| Show InChI InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 5.30E+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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501081
(CHEMBL3819020)Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCC(CC1)C(F)(F)F)N1CCNCC1 |r,wD:24.23,(6.32,1.36,;8.89,1.36,;-7.99,1.82,;-8,3.05,;-9.34,3.81,;-9.35,5.35,;-8.02,6.13,;-6.68,5.37,;-6.67,3.83,;-5.35,6.14,;-5.36,7.38,;-4.01,5.38,;-2.68,6.15,;-1.34,5.39,;-1.34,3.85,;-2.67,3.07,;-4.01,3.84,;-0,3.08,;1.06,3.7,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;-1.33,-.77,;-1.33,.77,;-2.67,-1.54,;-4,-.77,;-5.34,-1.54,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-6.67,-3.86,;-7.73,-3.24,;-6.66,-5.09,;-7.73,-4.48,;-10.69,6.11,;-10.7,7.65,;-12.04,8.41,;-13.37,7.63,;-13.36,6.09,;-12.01,5.33,)| Show InChI InChI=1S/C33H41F4N5O3.2ClH/c34-26-17-24(18-27(20-26)40-11-9-38-10-12-40)32(44)42-15-13-41(14-16-42)31(43)23-3-6-30(45-28-7-8-39-21-28)29(19-23)22-1-4-25(5-2-22)33(35,36)37;;/h3,6,17-20,22,25,28,38-39H,1-2,4-5,7-16,21H2;2*1H/t22?,25?,28-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.60E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501086
(CHEMBL3818707)Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1 |r| Show InChI InChI=1S/C32H35F2N5O3.2ClH/c33-25-4-1-22(2-5-25)29-19-23(3-6-30(29)42-28-7-8-36-21-28)31(40)38-13-15-39(16-14-38)32(41)24-17-26(34)20-27(18-24)37-11-9-35-10-12-37;;/h1-6,17-20,28,35-36H,7-16,21H2;2*1H/t28-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.90E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501079
(CHEMBL3819288)Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)C1CCNCC1 |r| Show InChI InChI=1S/C33H36F2N4O3.2ClH/c34-27-4-1-23(2-5-27)30-20-24(3-6-31(30)42-29-9-12-37-21-29)32(40)38-13-15-39(16-14-38)33(41)26-17-25(18-28(35)19-26)22-7-10-36-11-8-22;;/h1-6,17-20,22,29,36-37H,7-16,21H2;2*1H/t29-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.00E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501083
(CHEMBL3819165)Show SMILES Cl.Cl.Cc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1 |r| Show InChI InChI=1S/C33H45N5O3.2ClH/c1-24-19-27(21-28(20-24)36-13-11-34-12-14-36)33(40)38-17-15-37(16-18-38)32(39)26-7-8-31(41-29-9-10-35-23-29)30(22-26)25-5-3-2-4-6-25;;/h7-8,19-22,25,29,34-35H,2-6,9-18,23H2,1H3;2*1H/t29-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.50E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501078
(CHEMBL3818097)Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(O[C@@H]2CCNC2)c1 |r| Show InChI InChI=1S/C32H34F2N4O4.2ClH/c33-24-4-1-21(2-5-24)29-17-22(3-6-30(29)42-27-8-10-36-20-27)31(39)37-11-13-38(14-12-37)32(40)23-15-25(34)18-28(16-23)41-26-7-9-35-19-26;;/h1-6,15-18,26-27,35-36H,7-14,19-20H2;2*1H/t26-,27+;;/m1../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.50E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501092
(CHEMBL3819088)Show SMILES Cl.Cl.CC1CCC(CC1)c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1 |r,wD:16.15,(6.32,1.36,;8.89,1.36,;-6.4,-3.7,;-5.33,-3.08,;-5.34,-1.54,;-4,-.77,;-2.67,-1.54,;-2.67,-3.08,;-4,-3.85,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;-0,3.08,;1.06,3.7,;-1.34,3.85,;-1.34,5.39,;-2.68,6.15,;-4.01,5.38,;-4.01,3.84,;-2.67,3.07,;-5.35,6.14,;-5.36,7.38,;-6.68,5.37,;-6.67,3.83,;-8,3.05,;-7.99,1.82,;-9.34,3.81,;-9.35,5.35,;-8.02,6.13,;-10.69,6.11,;-10.7,7.65,;-12.04,8.41,;-13.37,7.63,;-13.36,6.09,;-12.01,5.33,)| Show InChI InChI=1S/C33H44FN5O3.2ClH/c1-23-2-4-24(5-3-23)30-20-25(6-7-31(30)42-29-8-9-36-22-29)32(40)38-14-16-39(17-15-38)33(41)26-18-27(34)21-28(19-26)37-12-10-35-11-13-37;;/h6-7,18-21,23-24,29,35-36H,2-5,8-17,22H2,1H3;2*1H/t23?,24?,29-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.70E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501093
(CHEMBL3818263)Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCC(F)(F)CC1)N1CCNCC1 |r| Show InChI InChI=1S/C32H40F3N5O3.2ClH/c33-25-17-24(18-26(20-25)38-11-9-36-10-12-38)31(42)40-15-13-39(14-16-40)30(41)23-1-2-29(43-27-5-8-37-21-27)28(19-23)22-3-6-32(34,35)7-4-22;;/h1-2,17-20,22,27,36-37H,3-16,21H2;2*1H/t27-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.50E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501090
(CHEMBL3819332)Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(O[C@H]2CCNC2)c1 |r| Show InChI InChI=1S/C32H34F2N4O4.2ClH/c33-24-4-1-21(2-5-24)29-17-22(3-6-30(29)42-27-8-10-36-20-27)31(39)37-11-13-38(14-12-37)32(40)23-15-25(34)18-28(16-23)41-26-7-9-35-19-26;;/h1-6,15-18,26-27,35-36H,7-14,19-20H2;2*1H/t26-,27-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.80E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501082
(CHEMBL3818667)Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCC1)N1CCNCC1 |r| Show InChI InChI=1S/C31H40FN5O3.2ClH/c32-25-17-24(18-26(20-25)35-11-9-33-10-12-35)31(39)37-15-13-36(14-16-37)30(38)23-5-6-29(40-27-7-8-34-21-27)28(19-23)22-3-1-2-4-22;;/h5-6,17-20,22,27,33-34H,1-4,7-16,21H2;2*1H/t27-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.30E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501085
(CHEMBL3818058)Show SMILES Cl.Cl.Brc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1 |r| Show InChI InChI=1S/C32H42BrN5O3.2ClH/c33-26-18-25(19-27(21-26)36-12-10-34-11-13-36)32(40)38-16-14-37(15-17-38)31(39)24-6-7-30(41-28-8-9-35-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,34-35H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.50E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501091
(CHEMBL3819368)Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)-c1ccc(F)c(F)c1)N1CCNCC1 |r| Show InChI InChI=1S/C32H34F3N5O3.2ClH/c33-24-15-23(16-25(19-24)38-9-7-36-8-10-38)32(42)40-13-11-39(12-14-40)31(41)22-2-4-30(43-26-5-6-37-20-26)27(17-22)21-1-3-28(34)29(35)18-21;;/h1-4,15-19,26,36-37H,5-14,20H2;2*1H/t26-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.70E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501077
(CHEMBL3818956)Show SMILES Cl.Cl.NCCc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H32F2N4O3.2ClH/c31-24-4-1-21(2-5-24)27-18-22(3-6-28(27)39-26-8-10-34-19-26)29(37)35-11-13-36(14-12-35)30(38)23-15-20(7-9-33)16-25(32)17-23;;/h1-6,15-18,26,34H,7-14,19,33H2;2*1H/t26-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.70E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501084
(CHEMBL3818280)Show SMILES Cl.Cl.FC(F)(F)c1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1 |r| Show InChI InChI=1S/C33H42F3N5O3.2ClH/c34-33(35,36)26-18-25(19-27(21-26)39-12-10-37-11-13-39)32(43)41-16-14-40(15-17-41)31(42)24-6-7-30(44-28-8-9-38-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,37-38H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.90E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501097
(CHEMBL3818207)Show SMILES Cl.Cl.CC1(C)CCC(CC1)c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1 |r| Show InChI InChI=1S/C34H46FN5O3.2ClH/c1-34(2)8-5-24(6-9-34)30-21-25(3-4-31(30)43-29-7-10-37-23-29)32(41)39-15-17-40(18-16-39)33(42)26-19-27(35)22-28(20-26)38-13-11-36-12-14-38;;/h3-4,19-22,24,29,36-37H,5-18,23H2,1-2H3;2*1H/t29-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.00E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501094
(CHEMBL3817935)Show SMILES Cl.Cl.Clc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1 |r| Show InChI InChI=1S/C32H42ClN5O3.2ClH/c33-26-18-25(19-27(21-26)36-12-10-34-11-13-36)32(40)38-16-14-37(15-17-38)31(39)24-6-7-30(41-28-8-9-35-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,34-35H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.60E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501089
(CHEMBL3818949)Show SMILES Cl.Cl.Fc1ccc(cc1)-c1cc(cnc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1 |r| Show InChI InChI=1S/C31H34F2N6O3.2ClH/c32-24-3-1-21(2-4-24)28-17-23(19-36-29(28)42-27-5-6-35-20-27)31(41)39-13-11-38(12-14-39)30(40)22-15-25(33)18-26(16-22)37-9-7-34-8-10-37;;/h1-4,15-19,27,34-35H,5-14,20H2;2*1H/t27-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.20E+4 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501087
(CHEMBL3818840)Show InChI InChI=1S/C15H15FN2O2/c16-12-4-1-10(2-5-12)13-9-11(15(18)19)3-6-14(13)20-8-7-17/h1-6,9H,7-8,17H2,(H2,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30E+5 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
Catenin beta-1/B-cell CLL/lymphoma 9 protein
(Homo sapiens (Human)) | BDBM50501076
(CHEMBL3819443)Show SMILES Cl.Cl.CCC1CCC(CC1)c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1 |r,wD:17.16,(6.32,1.36,;8.89,1.36,;-6.66,-5.09,;-6.66,-3.86,;-5.33,-3.08,;-5.34,-1.54,;-4,-.77,;-2.67,-1.54,;-2.67,-3.08,;-4,-3.85,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;-0,3.08,;1.06,3.7,;-1.34,3.85,;-1.34,5.39,;-2.68,6.15,;-4.01,5.38,;-4.01,3.84,;-2.67,3.07,;-5.35,6.14,;-5.36,7.38,;-6.68,5.37,;-6.67,3.83,;-8,3.05,;-7.99,1.82,;-9.34,3.81,;-9.35,5.35,;-8.02,6.13,;-10.69,6.11,;-10.7,7.65,;-12.04,8.41,;-13.37,7.63,;-13.36,6.09,;-12.01,5.33,)| Show InChI InChI=1S/C34H46FN5O3.2ClH/c1-2-24-3-5-25(6-4-24)31-21-26(7-8-32(31)43-30-9-10-37-23-30)33(41)39-15-17-40(18-16-39)34(42)27-19-28(35)22-29(20-27)38-13-11-36-12-14-38;;/h7-8,19-22,24-25,30,36-37H,2-6,9-18,23H2,1H3;2*1H/t24?,25?,30-;;/m0../s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.70E+5 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501096
(CHEMBL3818029)Show SMILES Cl.Cl.Cc1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCN(CC1)C(=O)c1cc(F)cc(c1)N1CCNCC1 |r| Show InChI InChI=1S/C27H34FN5O3.2ClH/c1-19-14-20(2-3-25(19)36-24-4-5-30-18-24)26(34)32-10-12-33(13-11-32)27(35)21-15-22(28)17-23(16-21)31-8-6-29-7-9-31;;/h2-3,14-17,24,29-30H,4-13,18H2,1H3;2*1H/t24-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.90E+5 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501095
(CHEMBL3818748)Show SMILES Cl.Cl.NCCc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)c1cnc(O[C@H]2CCNC2)c(c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H31F2N5O3.2ClH/c30-23-3-1-20(2-4-23)26-16-22(17-34-27(26)39-25-6-8-33-18-25)29(38)36-11-9-35(10-12-36)28(37)21-13-19(5-7-32)14-24(31)15-21;;/h1-4,13-17,25,33H,5-12,18,32H2;2*1H/t25-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >5.00E+5 | 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 inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
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) |
B-cell CLL/lymphoma 9 protein
(Homo sapiens) | BDBM50501080
(CHEMBL3819506)Show SMILES Cl.Cl.Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1 |r| Show InChI InChI=1S/C32H42FN5O3.2ClH/c33-26-18-25(19-27(21-26)36-12-10-34-11-13-36)32(40)38-16-14-37(15-17-38)31(39)24-6-7-30(41-28-8-9-35-22-28)29(20-24)23-4-2-1-3-5-23;;/h6-7,18-21,23,28,34-35H,1-5,8-17,22H2;2*1H/t28-;;/m0../s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated h... |
ACS Med Chem Lett 7: 508-13 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00284 BindingDB Entry DOI: 10.7270/Q2T43X4J |
More data for this Ligand-Target Pair | |
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 | |
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 | |
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) |