Found 22 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)) | BDBM162067
(US9682993, Table III)Show SMILES C[C@H](OC(=O)N(C)C(C)(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:16.15,19.19,26.25,wD:1.0,28.30,(-10.82,-2.72,;-9.48,-1.95,;-9.48,-.41,;-10.57,.68,;-12.06,.28,;-10.17,2.17,;-11.26,3.26,;-8.69,2.57,;-8.29,4.05,;-7.6,1.48,;-7.2,2.96,;-8.15,-2.72,;-6.61,-2.72,;-5.28,-1.95,;-5.28,-.41,;-3.94,-2.72,;-2.61,-1.95,;-2.61,-.41,;-1.28,.36,;.06,-.41,;1.39,.36,;2.73,-.41,;4.06,.36,;4.06,1.9,;5.39,-.41,;6.73,.36,;8.06,-.41,;8.06,-1.95,;9.39,-2.72,;10.16,-4.05,;8.62,-4.05,;10.73,-1.95,;10.73,-.41,;12.06,.36,;12.06,-1.18,;9.39,.36,;.06,-1.95,;-1.28,-2.72,)| Show InChI InChI=1S/C29H46N2O7/c1-20(9-12-23-15-29(19-36-29)18-28(6,7)38-23)10-14-25-34-16-22(17-35-25)30-24(32)13-11-21(2)37-26(33)31(8)27(3,4)5/h9-13,21-23,25H,14-19H2,1-8H3,(H,30,32)/b12-9+,13-11-,20-10+/t21-,22-,23+,25+,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162067
(US9682993, Table III)Show SMILES C[C@H](OC(=O)N(C)C(C)(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:16.15,19.19,26.25,wD:1.0,28.30,(-10.82,-2.72,;-9.48,-1.95,;-9.48,-.41,;-10.57,.68,;-12.06,.28,;-10.17,2.17,;-11.26,3.26,;-8.69,2.57,;-8.29,4.05,;-7.6,1.48,;-7.2,2.96,;-8.15,-2.72,;-6.61,-2.72,;-5.28,-1.95,;-5.28,-.41,;-3.94,-2.72,;-2.61,-1.95,;-2.61,-.41,;-1.28,.36,;.06,-.41,;1.39,.36,;2.73,-.41,;4.06,.36,;4.06,1.9,;5.39,-.41,;6.73,.36,;8.06,-.41,;8.06,-1.95,;9.39,-2.72,;10.16,-4.05,;8.62,-4.05,;10.73,-1.95,;10.73,-.41,;12.06,.36,;12.06,-1.18,;9.39,.36,;.06,-1.95,;-1.28,-2.72,)| Show InChI InChI=1S/C29H46N2O7/c1-20(9-12-23-15-29(19-36-29)18-28(6,7)38-23)10-14-25-34-16-22(17-35-25)30-24(32)13-11-21(2)37-26(33)31(8)27(3,4)5/h9-13,21-23,25H,14-19H2,1-8H3,(H,30,32)/b12-9+,13-11-,20-10+/t21-,22-,23+,25+,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162062
(US9682993, Table III)Show SMILES CCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-6.8,4.25,;-8.29,3.85,;-8.69,2.37,;-10.17,1.97,;-11.26,3.06,;-10.57,.48,;-12.06,.08,;-9.48,-.61,;-9.48,-2.15,;-10.82,-2.92,;-8.15,-2.92,;-6.61,-2.92,;-5.28,-2.15,;-5.28,-.61,;-3.94,-2.92,;-2.61,-2.15,;-2.61,-.61,;-1.28,.16,;.06,-.61,;1.39,.16,;2.73,-.61,;4.06,.16,;4.06,1.7,;5.39,-.61,;6.73,.16,;8.06,-.61,;8.06,-2.15,;9.39,-2.92,;10.16,-4.25,;8.62,-4.25,;10.73,-2.15,;10.73,-.61,;12.06,.16,;12.06,-1.38,;9.39,.16,;.06,-2.15,;-1.28,-2.92,)| Show InChI InChI=1S/C28H44N2O7/c1-7-14-30(6)26(32)36-21(3)10-12-24(31)29-22-16-33-25(34-17-22)13-9-20(2)8-11-23-15-28(19-35-28)18-27(4,5)37-23/h8-12,21-23,25H,7,13-19H2,1-6H3,(H,29,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162062
(US9682993, Table III)Show SMILES CCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-6.8,4.25,;-8.29,3.85,;-8.69,2.37,;-10.17,1.97,;-11.26,3.06,;-10.57,.48,;-12.06,.08,;-9.48,-.61,;-9.48,-2.15,;-10.82,-2.92,;-8.15,-2.92,;-6.61,-2.92,;-5.28,-2.15,;-5.28,-.61,;-3.94,-2.92,;-2.61,-2.15,;-2.61,-.61,;-1.28,.16,;.06,-.61,;1.39,.16,;2.73,-.61,;4.06,.16,;4.06,1.7,;5.39,-.61,;6.73,.16,;8.06,-.61,;8.06,-2.15,;9.39,-2.92,;10.16,-4.25,;8.62,-4.25,;10.73,-2.15,;10.73,-.61,;12.06,.16,;12.06,-1.38,;9.39,.16,;.06,-2.15,;-1.28,-2.92,)| Show InChI InChI=1S/C28H44N2O7/c1-7-14-30(6)26(32)36-21(3)10-12-24(31)29-22-16-33-25(34-17-22)13-9-20(2)8-11-23-15-28(19-35-28)18-27(4,5)37-23/h8-12,21-23,25H,7,13-19H2,1-6H3,(H,29,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162065
(US9682993, Table III)Show SMILES CCCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:16.15,19.19,26.25,wD:9.9,28.30,(-6.4,5,;-6.8,3.51,;-8.29,3.11,;-8.69,1.62,;-10.17,1.22,;-11.26,2.31,;-10.57,-.26,;-12.06,-.66,;-9.48,-1.35,;-9.48,-2.89,;-10.82,-3.66,;-8.15,-3.66,;-6.61,-3.66,;-5.28,-2.89,;-5.28,-1.35,;-3.94,-3.66,;-2.61,-2.89,;-2.61,-1.35,;-1.28,-.58,;.06,-1.35,;1.39,-.58,;2.73,-1.35,;4.06,-.58,;4.06,.96,;5.39,-1.35,;6.73,-.58,;8.06,-1.35,;8.06,-2.89,;9.39,-3.66,;10.16,-5,;8.62,-5,;10.73,-2.89,;10.73,-1.35,;12.06,-.58,;12.06,-2.12,;9.39,-.58,;.06,-2.89,;-1.28,-3.66,)| Show InChI InChI=1S/C29H46N2O7/c1-7-8-15-31(6)27(33)37-22(3)11-13-25(32)30-23-17-34-26(35-18-23)14-10-21(2)9-12-24-16-29(20-36-29)19-28(4,5)38-24/h9-13,22-24,26H,7-8,14-20H2,1-6H3,(H,30,32)/b12-9+,13-11-,21-10+/t22-,23-,24+,26+,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162065
(US9682993, Table III)Show SMILES CCCCN(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:16.15,19.19,26.25,wD:9.9,28.30,(-6.4,5,;-6.8,3.51,;-8.29,3.11,;-8.69,1.62,;-10.17,1.22,;-11.26,2.31,;-10.57,-.26,;-12.06,-.66,;-9.48,-1.35,;-9.48,-2.89,;-10.82,-3.66,;-8.15,-3.66,;-6.61,-3.66,;-5.28,-2.89,;-5.28,-1.35,;-3.94,-3.66,;-2.61,-2.89,;-2.61,-1.35,;-1.28,-.58,;.06,-1.35,;1.39,-.58,;2.73,-1.35,;4.06,-.58,;4.06,.96,;5.39,-1.35,;6.73,-.58,;8.06,-1.35,;8.06,-2.89,;9.39,-3.66,;10.16,-5,;8.62,-5,;10.73,-2.89,;10.73,-1.35,;12.06,-.58,;12.06,-2.12,;9.39,-.58,;.06,-2.89,;-1.28,-3.66,)| Show InChI InChI=1S/C29H46N2O7/c1-7-8-15-31(6)27(33)37-22(3)11-13-25(32)30-23-17-34-26(35-18-23)14-10-21(2)9-12-24-16-29(20-36-29)19-28(4,5)38-24/h9-13,22-24,26H,7-8,14-20H2,1-6H3,(H,30,32)/b12-9+,13-11-,21-10+/t22-,23-,24+,26+,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162066
(US9682993, Table III)Show SMILES CC(C)N(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-8.29,4.05,;-8.69,2.57,;-7.6,1.48,;-10.17,2.17,;-11.26,3.26,;-10.57,.68,;-12.06,.28,;-9.48,-.41,;-9.48,-1.95,;-10.82,-2.72,;-8.15,-2.72,;-6.61,-2.72,;-5.28,-1.95,;-5.28,-.41,;-3.94,-2.72,;-2.61,-1.95,;-2.61,-.41,;-1.28,.36,;.06,-.41,;1.39,.36,;2.73,-.41,;4.06,.36,;4.06,1.9,;5.39,-.41,;6.73,.36,;8.06,-.41,;8.06,-1.95,;9.39,-2.72,;10.16,-4.05,;8.62,-4.05,;10.73,-1.95,;10.73,-.41,;12.06,.36,;12.06,-1.18,;9.39,.36,;.06,-1.95,;-1.28,-2.72,)| Show InChI InChI=1S/C28H44N2O7/c1-19(2)30(7)26(32)36-21(4)10-12-24(31)29-22-15-33-25(34-16-22)13-9-20(3)8-11-23-14-28(18-35-28)17-27(5,6)37-23/h8-12,19,21-23,25H,13-18H2,1-7H3,(H,29,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162066
(US9682993, Table III)Show SMILES CC(C)N(C)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-8.29,4.05,;-8.69,2.57,;-7.6,1.48,;-10.17,2.17,;-11.26,3.26,;-10.57,.68,;-12.06,.28,;-9.48,-.41,;-9.48,-1.95,;-10.82,-2.72,;-8.15,-2.72,;-6.61,-2.72,;-5.28,-1.95,;-5.28,-.41,;-3.94,-2.72,;-2.61,-1.95,;-2.61,-.41,;-1.28,.36,;.06,-.41,;1.39,.36,;2.73,-.41,;4.06,.36,;4.06,1.9,;5.39,-.41,;6.73,.36,;8.06,-.41,;8.06,-1.95,;9.39,-2.72,;10.16,-4.05,;8.62,-4.05,;10.73,-1.95,;10.73,-.41,;12.06,.36,;12.06,-1.18,;9.39,.36,;.06,-1.95,;-1.28,-2.72,)| Show InChI InChI=1S/C28H44N2O7/c1-19(2)30(7)26(32)36-21(4)10-12-24(31)29-22-15-33-25(34-16-22)13-9-20(3)8-11-23-14-28(18-35-28)17-27(5,6)37-23/h8-12,19,21-23,25H,13-18H2,1-7H3,(H,29,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162070
(US9682993, Table III)Show SMILES C[C@H](OC(=O)N(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:13.12,16.16,23.22,wD:1.0,25.27,(-10.82,-2.32,;-9.48,-1.55,;-9.48,-.01,;-10.57,1.08,;-12.06,.68,;-10.17,2.57,;-8.69,2.96,;-11.26,3.65,;-8.15,-2.32,;-6.61,-2.32,;-5.28,-1.55,;-5.28,-.01,;-3.94,-2.32,;-2.61,-1.55,;-2.61,-.01,;-1.28,.76,;.06,-.01,;1.39,.76,;2.73,-.01,;4.06,.76,;4.06,2.3,;5.39,-.01,;6.73,.76,;8.06,-.01,;8.06,-1.55,;9.39,-2.32,;10.16,-3.65,;8.62,-3.65,;10.73,-1.55,;10.73,-.01,;12.06,.76,;12.06,-.78,;9.39,.76,;.06,-1.55,;-1.28,-2.32,)| Show InChI InChI=1S/C26H40N2O7/c1-18(7-10-21-13-26(17-33-26)16-25(3,4)35-21)8-12-23-31-14-20(15-32-23)27-22(29)11-9-19(2)34-24(30)28(5)6/h7-11,19-21,23H,12-17H2,1-6H3,(H,27,29)/b10-7+,11-9-,18-8+/t19-,20-,21+,23+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162070
(US9682993, Table III)Show SMILES C[C@H](OC(=O)N(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:13.12,16.16,23.22,wD:1.0,25.27,(-10.82,-2.32,;-9.48,-1.55,;-9.48,-.01,;-10.57,1.08,;-12.06,.68,;-10.17,2.57,;-8.69,2.96,;-11.26,3.65,;-8.15,-2.32,;-6.61,-2.32,;-5.28,-1.55,;-5.28,-.01,;-3.94,-2.32,;-2.61,-1.55,;-2.61,-.01,;-1.28,.76,;.06,-.01,;1.39,.76,;2.73,-.01,;4.06,.76,;4.06,2.3,;5.39,-.01,;6.73,.76,;8.06,-.01,;8.06,-1.55,;9.39,-2.32,;10.16,-3.65,;8.62,-3.65,;10.73,-1.55,;10.73,-.01,;12.06,.76,;12.06,-.78,;9.39,.76,;.06,-1.55,;-1.28,-2.32,)| Show InChI InChI=1S/C26H40N2O7/c1-18(7-10-21-13-26(17-33-26)16-25(3,4)35-21)8-12-23-31-14-20(15-32-23)27-22(29)11-9-19(2)34-24(30)28(5)6/h7-11,19-21,23H,12-17H2,1-6H3,(H,27,29)/b10-7+,11-9-,18-8+/t19-,20-,21+,23+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162060
(US9682993, Table III)Show SMILES C[C@H](OC(=O)NC(C)(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:1.0,27.29,(-10.82,-2.72,;-9.48,-1.95,;-9.48,-.41,;-10.57,.68,;-12.06,.28,;-10.17,2.17,;-8.69,2.57,;-8.29,4.05,;-7.6,1.48,;-7.2,2.96,;-8.15,-2.72,;-6.61,-2.72,;-5.28,-1.95,;-5.28,-.41,;-3.94,-2.72,;-2.61,-1.95,;-2.61,-.41,;-1.28,.36,;.06,-.41,;1.39,.36,;2.73,-.41,;4.06,.36,;4.06,1.9,;5.39,-.41,;6.73,.36,;8.06,-.41,;8.06,-1.95,;9.39,-2.72,;10.16,-4.05,;8.62,-4.05,;10.73,-1.95,;10.73,-.41,;12.06,.36,;12.06,-1.18,;9.39,.36,;.06,-1.95,;-1.28,-2.72,)| Show InChI InChI=1S/C28H44N2O7/c1-19(8-11-22-14-28(18-35-28)17-27(6,7)37-22)9-13-24-33-15-21(16-34-24)29-23(31)12-10-20(2)36-25(32)30-26(3,4)5/h8-12,20-22,24H,13-18H2,1-7H3,(H,29,31)(H,30,32)/b11-8+,12-10-,19-9+/t20-,21-,22+,24+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162060
(US9682993, Table III)Show SMILES C[C@H](OC(=O)NC(C)(C)C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:1.0,27.29,(-10.82,-2.72,;-9.48,-1.95,;-9.48,-.41,;-10.57,.68,;-12.06,.28,;-10.17,2.17,;-8.69,2.57,;-8.29,4.05,;-7.6,1.48,;-7.2,2.96,;-8.15,-2.72,;-6.61,-2.72,;-5.28,-1.95,;-5.28,-.41,;-3.94,-2.72,;-2.61,-1.95,;-2.61,-.41,;-1.28,.36,;.06,-.41,;1.39,.36,;2.73,-.41,;4.06,.36,;4.06,1.9,;5.39,-.41,;6.73,.36,;8.06,-.41,;8.06,-1.95,;9.39,-2.72,;10.16,-4.05,;8.62,-4.05,;10.73,-1.95,;10.73,-.41,;12.06,.36,;12.06,-1.18,;9.39,.36,;.06,-1.95,;-1.28,-2.72,)| Show InChI InChI=1S/C28H44N2O7/c1-19(8-11-22-14-28(18-35-28)17-27(6,7)37-22)9-13-24-33-15-21(16-34-24)29-23(31)12-10-20(2)36-25(32)30-26(3,4)5/h8-12,20-22,24H,13-18H2,1-7H3,(H,29,31)(H,30,32)/b11-8+,12-10-,19-9+/t20-,21-,22+,24+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162063
(US9682993, Table III)Show SMILES COCCNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-6.4,5,;-6.8,3.51,;-8.29,3.11,;-8.69,1.62,;-10.17,1.22,;-10.57,-.26,;-12.06,-.66,;-9.48,-1.35,;-9.48,-2.89,;-10.82,-3.66,;-8.15,-3.66,;-6.61,-3.66,;-5.28,-2.89,;-5.28,-1.35,;-3.94,-3.66,;-2.61,-2.89,;-2.61,-1.35,;-1.28,-.58,;.06,-1.35,;1.39,-.58,;2.73,-1.35,;4.06,-.58,;4.06,.96,;5.39,-1.35,;6.73,-.58,;8.06,-1.35,;8.06,-2.89,;9.39,-3.66,;10.16,-5,;8.62,-5,;10.73,-2.89,;10.73,-1.35,;12.06,-.58,;12.06,-2.12,;9.39,-.58,;.06,-2.89,;-1.28,-3.66,)| Show InChI InChI=1S/C27H42N2O8/c1-19(6-9-22-14-27(18-35-27)17-26(3,4)37-22)7-11-24-33-15-21(16-34-24)29-23(30)10-8-20(2)36-25(31)28-12-13-32-5/h6-10,20-22,24H,11-18H2,1-5H3,(H,28,31)(H,29,30)/b9-6+,10-8-,19-7+/t20-,21-,22+,24+,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162059
(US9682993, Table III)Show SMILES CCN(CC)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-8.29,3.71,;-8.69,2.22,;-10.17,1.82,;-11.26,2.91,;-10.87,4.4,;-10.57,.33,;-12.06,-.06,;-9.48,-.75,;-9.48,-2.29,;-10.82,-3.06,;-8.15,-3.06,;-6.61,-3.06,;-5.28,-2.29,;-5.28,-.75,;-3.94,-3.06,;-2.61,-2.29,;-2.61,-.75,;-1.28,.02,;.06,-.75,;1.39,.02,;2.73,-.75,;4.06,.02,;4.06,1.56,;5.39,-.75,;6.73,.02,;8.06,-.75,;8.06,-2.29,;9.39,-3.06,;10.16,-4.4,;8.62,-4.4,;10.73,-2.29,;10.73,-.75,;12.06,.02,;12.06,-1.52,;9.39,.02,;.06,-2.29,;-1.28,-3.06,)| Show InChI InChI=1S/C28H44N2O7/c1-7-30(8-2)26(32)36-21(4)11-13-24(31)29-22-16-33-25(34-17-22)14-10-20(3)9-12-23-15-28(19-35-28)18-27(5,6)37-23/h9-13,21-23,25H,7-8,14-19H2,1-6H3,(H,29,31)/b12-9+,13-11-,20-10+/t21-,22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162071
(US9682993, Table III)Show SMILES CNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:12.11,15.15,22.21,wD:5.5,24.26,(-8.69,3.31,;-10.17,2.91,;-10.57,1.42,;-12.06,1.02,;-9.48,.33,;-9.48,-1.21,;-10.82,-1.98,;-8.15,-1.98,;-6.61,-1.98,;-5.28,-1.21,;-5.28,.33,;-3.94,-1.98,;-2.61,-1.21,;-2.61,.33,;-1.28,1.1,;.06,.33,;1.39,1.1,;2.73,.33,;4.06,1.1,;4.06,2.64,;5.39,.33,;6.73,1.1,;8.06,.33,;8.06,-1.21,;9.39,-1.98,;10.16,-3.31,;8.62,-3.31,;10.73,-1.21,;10.73,.33,;12.06,1.1,;12.06,-.44,;9.39,1.1,;.06,-1.21,;-1.28,-1.98,)| Show InChI InChI=1S/C25H38N2O7/c1-17(6-9-20-12-25(16-32-25)15-24(3,4)34-20)7-11-22-30-13-19(14-31-22)27-21(28)10-8-18(2)33-23(29)26-5/h6-10,18-20,22H,11-16H2,1-5H3,(H,26,29)(H,27,28)/b9-6+,10-8-,17-7+/t18-,19-,20+,22+,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162071
(US9682993, Table III)Show SMILES CNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:12.11,15.15,22.21,wD:5.5,24.26,(-8.69,3.31,;-10.17,2.91,;-10.57,1.42,;-12.06,1.02,;-9.48,.33,;-9.48,-1.21,;-10.82,-1.98,;-8.15,-1.98,;-6.61,-1.98,;-5.28,-1.21,;-5.28,.33,;-3.94,-1.98,;-2.61,-1.21,;-2.61,.33,;-1.28,1.1,;.06,.33,;1.39,1.1,;2.73,.33,;4.06,1.1,;4.06,2.64,;5.39,.33,;6.73,1.1,;8.06,.33,;8.06,-1.21,;9.39,-1.98,;10.16,-3.31,;8.62,-3.31,;10.73,-1.21,;10.73,.33,;12.06,1.1,;12.06,-.44,;9.39,1.1,;.06,-1.21,;-1.28,-1.98,)| Show InChI InChI=1S/C25H38N2O7/c1-17(6-9-20-12-25(16-32-25)15-24(3,4)34-20)7-11-22-30-13-19(14-31-22)27-21(28)10-8-18(2)33-23(29)26-5/h6-10,18-20,22H,11-16H2,1-5H3,(H,26,29)(H,27,28)/b9-6+,10-8-,17-7+/t18-,19-,20+,22+,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162058
(US9682993, Table III)Show SMILES CCCCNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-6.4,5,;-6.8,3.51,;-8.29,3.11,;-8.69,1.62,;-10.17,1.22,;-10.57,-.26,;-12.06,-.66,;-9.48,-1.35,;-9.48,-2.89,;-10.82,-3.66,;-8.15,-3.66,;-6.61,-3.66,;-5.28,-2.89,;-5.28,-1.35,;-3.94,-3.66,;-2.61,-2.89,;-2.61,-1.35,;-1.28,-.58,;.06,-1.35,;1.39,-.58,;2.73,-1.35,;4.06,-.58,;4.06,.96,;5.39,-1.35,;6.73,-.58,;8.06,-1.35,;8.06,-2.89,;9.39,-3.66,;10.16,-5,;8.62,-5,;10.73,-2.89,;10.73,-1.35,;12.06,-.58,;12.06,-2.12,;9.39,-.58,;.06,-2.89,;-1.28,-3.66,)| Show InChI InChI=1S/C28H44N2O7/c1-6-7-14-29-26(32)36-21(3)10-12-24(31)30-22-16-33-25(34-17-22)13-9-20(2)8-11-23-15-28(19-35-28)18-27(4,5)37-23/h8-12,21-23,25H,6-7,13-19H2,1-5H3,(H,29,32)(H,30,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162058
(US9682993, Table III)Show SMILES CCCCNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-6.4,5,;-6.8,3.51,;-8.29,3.11,;-8.69,1.62,;-10.17,1.22,;-10.57,-.26,;-12.06,-.66,;-9.48,-1.35,;-9.48,-2.89,;-10.82,-3.66,;-8.15,-3.66,;-6.61,-3.66,;-5.28,-2.89,;-5.28,-1.35,;-3.94,-3.66,;-2.61,-2.89,;-2.61,-1.35,;-1.28,-.58,;.06,-1.35,;1.39,-.58,;2.73,-1.35,;4.06,-.58,;4.06,.96,;5.39,-1.35,;6.73,-.58,;8.06,-1.35,;8.06,-2.89,;9.39,-3.66,;10.16,-5,;8.62,-5,;10.73,-2.89,;10.73,-1.35,;12.06,-.58,;12.06,-2.12,;9.39,-.58,;.06,-2.89,;-1.28,-3.66,)| Show InChI InChI=1S/C28H44N2O7/c1-6-7-14-29-26(32)36-21(3)10-12-24(31)30-22-16-33-25(34-17-22)13-9-20(2)8-11-23-15-28(19-35-28)18-27(4,5)37-23/h8-12,21-23,25H,6-7,13-19H2,1-5H3,(H,29,32)(H,30,31)/b11-8+,12-10-,20-9+/t21-,22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162059
(US9682993, Table III)Show SMILES CCN(CC)C(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-8.29,3.71,;-8.69,2.22,;-10.17,1.82,;-11.26,2.91,;-10.87,4.4,;-10.57,.33,;-12.06,-.06,;-9.48,-.75,;-9.48,-2.29,;-10.82,-3.06,;-8.15,-3.06,;-6.61,-3.06,;-5.28,-2.29,;-5.28,-.75,;-3.94,-3.06,;-2.61,-2.29,;-2.61,-.75,;-1.28,.02,;.06,-.75,;1.39,.02,;2.73,-.75,;4.06,.02,;4.06,1.56,;5.39,-.75,;6.73,.02,;8.06,-.75,;8.06,-2.29,;9.39,-3.06,;10.16,-4.4,;8.62,-4.4,;10.73,-2.29,;10.73,-.75,;12.06,.02,;12.06,-1.52,;9.39,.02,;.06,-2.29,;-1.28,-3.06,)| Show InChI InChI=1S/C28H44N2O7/c1-7-30(8-2)26(32)36-21(4)11-13-24(31)29-22-16-33-25(34-17-22)14-10-20(3)9-12-23-15-28(19-35-28)18-27(5,6)37-23/h9-13,21-23,25H,7-8,14-19H2,1-6H3,(H,29,31)/b12-9+,13-11-,20-10+/t21-,22-,23+,25+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162075
(US9682993, Table III)Show SMILES C[C@H](OC(N)=O)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:11.10,14.14,21.20,wD:1.0,23.25,(-10.82,-1.78,;-9.48,-1.01,;-9.48,.53,;-10.57,1.62,;-10.17,3.11,;-12.06,1.22,;-8.15,-1.78,;-6.61,-1.78,;-5.28,-1.01,;-5.28,.53,;-3.94,-1.78,;-2.61,-1.01,;-2.61,.53,;-1.28,1.3,;.06,.53,;1.39,1.3,;2.73,.53,;4.06,1.3,;4.06,2.84,;5.39,.53,;6.73,1.3,;8.06,.53,;8.06,-1.01,;9.39,-1.78,;10.16,-3.11,;8.62,-3.11,;10.73,-1.01,;10.73,.53,;12.06,1.3,;12.06,-.24,;9.39,1.3,;.06,-1.01,;-1.28,-1.78,)| Show InChI InChI=1S/C24H36N2O7/c1-16(5-8-19-11-24(15-31-24)14-23(3,4)33-19)6-10-21-29-12-18(13-30-21)26-20(27)9-7-17(2)32-22(25)28/h5-9,17-19,21H,10-15H2,1-4H3,(H2,25,28)(H,26,27)/b8-5+,9-7-,16-6+/t17-,18-,19+,21+,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
JeKo1 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,0... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162075
(US9682993, Table III)Show SMILES C[C@H](OC(N)=O)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:11.10,14.14,21.20,wD:1.0,23.25,(-10.82,-1.78,;-9.48,-1.01,;-9.48,.53,;-10.57,1.62,;-10.17,3.11,;-12.06,1.22,;-8.15,-1.78,;-6.61,-1.78,;-5.28,-1.01,;-5.28,.53,;-3.94,-1.78,;-2.61,-1.01,;-2.61,.53,;-1.28,1.3,;.06,.53,;1.39,1.3,;2.73,.53,;4.06,1.3,;4.06,2.84,;5.39,.53,;6.73,1.3,;8.06,.53,;8.06,-1.01,;9.39,-1.78,;10.16,-3.11,;8.62,-3.11,;10.73,-1.01,;10.73,.53,;12.06,1.3,;12.06,-.24,;9.39,1.3,;.06,-1.01,;-1.28,-1.78,)| Show InChI InChI=1S/C24H36N2O7/c1-16(5-8-19-11-24(15-31-24)14-23(3,4)33-19)6-10-21-29-12-18(13-30-21)26-20(27)9-7-17(2)32-22(25)28/h5-9,17-19,21H,10-15H2,1-4H3,(H2,25,28)(H,26,27)/b8-5+,9-7-,16-6+/t17-,18-,19+,21+,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM162063
(US9682993, Table III)Show SMILES COCCNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CO[C@@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 |r,wU:15.14,18.18,25.24,wD:8.8,27.29,(-6.4,5,;-6.8,3.51,;-8.29,3.11,;-8.69,1.62,;-10.17,1.22,;-10.57,-.26,;-12.06,-.66,;-9.48,-1.35,;-9.48,-2.89,;-10.82,-3.66,;-8.15,-3.66,;-6.61,-3.66,;-5.28,-2.89,;-5.28,-1.35,;-3.94,-3.66,;-2.61,-2.89,;-2.61,-1.35,;-1.28,-.58,;.06,-1.35,;1.39,-.58,;2.73,-1.35,;4.06,-.58,;4.06,.96,;5.39,-1.35,;6.73,-.58,;8.06,-1.35,;8.06,-2.89,;9.39,-3.66,;10.16,-5,;8.62,-5,;10.73,-2.89,;10.73,-1.35,;12.06,-.58,;12.06,-2.12,;9.39,-.58,;.06,-2.89,;-1.28,-3.66,)| Show InChI InChI=1S/C27H42N2O8/c1-19(6-9-22-14-27(18-35-27)17-26(3,4)37-22)7-11-24-33-15-21(16-34-24)29-23(30)10-8-20(2)36-25(31)28-12-13-32-5/h6-10,20-22,24H,11-18H2,1-5H3,(H,28,31)(H,29,30)/b9-6+,10-8-,19-7+/t20-,21-,22+,24+,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
US Patent
| Assay Description
PC3 cell lines were seeded in 100 μL cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000... |
US Patent US9682993 (2017)
BindingDB Entry DOI: 10.7270/Q21834N0 |
More data for this
Ligand-Target Pair | |
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