Found 8 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)) | BDBM50069631
(CHEMBL3402520)Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)c(F)c1)c1ccc(Cl)nc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC2(CC2)NC[C@@H]1C |r,t:3,6| Show InChI InChI=1S/C33H36Cl2F2N6O2S/c1-17(2)26-27(30(45)41-15-21(36)12-24(41)29(44)42-16-33(9-10-33)39-13-18(42)3)46-31-40-32(4,20-6-8-25(35)38-14-20)28(43(26)31)19-5-7-22(34)23(37)11-19/h5-8,11,14,17-18,21,24,28,39H,9-10,12-13,15-16H2,1-4H3/t18-,21+,24-,28+,32-/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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay |
Bioorg Med Chem 23: 2360-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.069
BindingDB Entry DOI: 10.7270/Q2668FV5 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50069632
(CHEMBL3402521)Show SMILES CC[C@@H]1CNC2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1=C(C(C)C)N2[C@H](c3ccc(Cl)c(F)c3)[C@@](C)(N=C2S1)c1ccc(Cl)nc1 |r,c:23,41| Show InChI InChI=1S/C34H38Cl2F2N6O2S/c1-5-22-15-40-34(10-11-34)17-43(22)30(45)25-13-21(37)16-42(25)31(46)28-27(18(2)3)44-29(19-6-8-23(35)24(38)12-19)33(4,41-32(44)47-28)20-7-9-26(36)39-14-20/h6-9,12,14,18,21-22,25,29,40H,5,10-11,13,15-17H2,1-4H3/t21-,22-,25+,29-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay |
Bioorg Med Chem 23: 2360-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.069
BindingDB Entry DOI: 10.7270/Q2668FV5 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50069628
(CHEMBL3402517)Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1)C(=O)N1[C@H](C)CC[C@H]1C(=O)N1CCNC2(CC2)C1 |r,t:3,6| Show InChI InChI=1S/C34H38Cl2FN5O2S/c1-19(2)27-28(31(44)41-20(3)5-12-26(41)30(43)40-16-15-38-34(18-40)13-14-34)45-32-39-33(4,22-7-9-23(35)10-8-22)29(42(27)32)21-6-11-24(36)25(37)17-21/h6-11,17,19-20,26,29,38H,5,12-16,18H2,1-4H3/t20-,26+,29-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay |
Bioorg Med Chem 23: 2360-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.069
BindingDB Entry DOI: 10.7270/Q2668FV5 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50069627
(CHEMBL3402516)Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1[C@H](C)CC[C@H]1C(=O)N1CCNC2(CC2)C1 |r,t:3,6| Show InChI InChI=1S/C34H39Cl2N5O2S/c1-20(2)27-28(31(43)40-21(3)5-14-26(40)30(42)39-18-17-37-34(19-39)15-16-34)44-32-38-33(4,23-8-12-25(36)13-9-23)29(41(27)32)22-6-10-24(35)11-7-22/h6-13,20-21,26,29,37H,5,14-19H2,1-4H3/t21-,26+,29-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay |
Bioorg Med Chem 23: 2360-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.069
BindingDB Entry DOI: 10.7270/Q2668FV5 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50069630
(CHEMBL3402519)Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)c(F)c1)c1ccc(Cl)nc1)C(=O)N1[C@H](C)CC[C@H]1C(=O)N1CC2(CC2)NC[C@@H]1C |r,t:3,6| Show InChI InChI=1S/C34H39Cl2FN6O2S/c1-18(2)27-28(31(45)42-19(3)6-10-25(42)30(44)41-17-34(12-13-34)39-15-20(41)4)46-32-40-33(5,22-8-11-26(36)38-16-22)29(43(27)32)21-7-9-23(35)24(37)14-21/h7-9,11,14,16,18-20,25,29,39H,6,10,12-13,15,17H2,1-5H3/t19-,20+,25+,29-,33+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay |
Bioorg Med Chem 23: 2360-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.069
BindingDB Entry DOI: 10.7270/Q2668FV5 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50069625
(CHEMBL2398246)Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1[C@H](C)CC[C@H]1C(=O)N1CCN(C)[C@H](C)C1 |r,t:3,6| Show InChI InChI=1S/C34H41Cl2N5O2S/c1-20(2)28-29(32(43)40-21(3)7-16-27(40)31(42)39-18-17-38(6)22(4)19-39)44-33-37-34(5,24-10-14-26(36)15-11-24)30(41(28)33)23-8-12-25(35)13-9-23/h8-15,20-22,27,30H,7,16-19H2,1-6H3/t21-,22-,27+,30-,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay |
Bioorg Med Chem 23: 2360-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.069
BindingDB Entry DOI: 10.7270/Q2668FV5 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50069629
(CHEMBL3402518)Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)c(F)c1)c1ccc(Cl)nc1)C(=O)N1[C@H](C)CC[C@H]1C(=O)N1CCNC2(CC2)C1 |r,t:3,6| Show InChI InChI=1S/C33H37Cl2FN6O2S/c1-18(2)26-27(30(44)41-19(3)5-9-24(41)29(43)40-14-13-38-33(17-40)11-12-33)45-31-39-32(4,21-7-10-25(35)37-16-21)28(42(26)31)20-6-8-22(34)23(36)15-20/h6-8,10,15-16,18-19,24,28,38H,5,9,11-14,17H2,1-4H3/t19-,24+,28-,32+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay |
Bioorg Med Chem 23: 2360-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.069
BindingDB Entry DOI: 10.7270/Q2668FV5 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50069626
(CHEMBL3402515)Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1[C@H](C)CC[C@H]1C(=O)N1CCN(C)C2(CC2)C1 |r,t:3,6| Show InChI InChI=1S/C35H41Cl2N5O2S/c1-21(2)28-29(32(44)41-22(3)6-15-27(41)31(43)40-19-18-39(5)35(20-40)16-17-35)45-33-38-34(4,24-9-13-26(37)14-10-24)30(42(28)33)23-7-11-25(36)12-8-23/h7-14,21-22,27,30H,6,15-20H2,1-5H3/t22-,27+,30-,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay |
Bioorg Med Chem 23: 2360-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.069
BindingDB Entry DOI: 10.7270/Q2668FV5 |
More data for this
Ligand-Target Pair | |
Search and Browse
