Found 14 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)) | BDBM50012587
(CHEMBL3260822)Show SMILES CC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1-n1c(nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1)C1CCCCC1 |(2.75,-50.65,;4.05,-51.47,;4,-53.01,;2.71,-52.23,;5.42,-50.75,;5.47,-49.21,;4.17,-48.39,;6.83,-48.49,;8.14,-49.31,;8.08,-50.85,;9.39,-51.67,;10.75,-50.94,;12.06,-51.75,;10.8,-49.41,;12.16,-48.68,;9.5,-48.59,;9.56,-47.06,;10.83,-46.2,;10.41,-44.72,;8.87,-44.67,;8,-43.39,;6.46,-43.34,;6.04,-41.86,;7.31,-41,;7.36,-39.46,;8.53,-41.94,;8.35,-46.11,;6.81,-46.11,;6.04,-47.43,;4.5,-47.43,;3.73,-46.09,;2.19,-46.08,;4.51,-44.76,;3.75,-43.42,;6.05,-44.77,;12.28,-46.73,;12.54,-48.25,;13.99,-48.78,;15.17,-47.79,;14.9,-46.27,;13.45,-45.74,)| Show InChI InChI=1S/C29H30Cl2F2N6O2/c1-29(2,3)36-21(40)14-17-9-11-18(30)22(33)24(17)39-25(16-10-12-20(32)19(31)13-16)23(27-37-38-28(34)41-27)35-26(39)15-7-5-4-6-8-15/h9-13,15H,4-8,14H2,1-3H3,(H2,34,38)(H,36,40) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012586
(CHEMBL3260821)Show SMILES Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1c(CC(=O)NC2CCCCC2)ccc(Cl)c1F |(63.6,-25.42,;63.55,-26.96,;62.27,-27.82,;62.7,-29.3,;64.24,-29.35,;64.76,-27.9,;65.1,-30.63,;66.65,-30.68,;67.07,-32.16,;68.51,-32.69,;68.78,-34.21,;70.22,-34.74,;71.4,-33.75,;71.13,-32.23,;69.69,-31.7,;65.79,-33.02,;64.58,-32.07,;63.04,-32.07,;62.27,-33.39,;60.74,-33.39,;59.96,-32.05,;58.42,-32.04,;60.74,-30.72,;59.98,-29.38,;62.28,-30.73,;65.74,-34.55,;64.37,-35.27,;63.07,-34.45,;61.71,-35.17,;60.4,-34.36,;61.65,-36.71,;60.29,-37.43,;58.99,-36.61,;57.63,-37.32,;57.57,-38.86,;58.87,-39.69,;60.24,-38.97,;64.32,-36.81,;65.62,-37.63,;66.99,-36.9,;68.3,-37.72,;67.04,-35.37,;68.4,-34.64,)| Show InChI InChI=1S/C31H32Cl2F2N6O2/c32-21-13-11-19(16-24(42)37-20-9-5-2-6-10-20)27(25(21)35)41-28(18-12-14-23(34)22(33)15-18)26(30-39-40-31(36)43-30)38-29(41)17-7-3-1-4-8-17/h11-15,17,20H,1-10,16H2,(H2,36,40)(H,37,42) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012589
(CHEMBL3260816)Show SMILES Fc1ccc(cc1Cl)-c1c(nc(C2CCCCC2)n1-c1cccc(Cl)c1F)-c1nnn[nH]1 |(48.97,-18.08,;50.51,-18.09,;51.28,-19.43,;52.82,-19.43,;53.59,-18.11,;52.83,-16.77,;51.29,-16.76,;50.53,-15.42,;55.13,-18.11,;55.65,-16.67,;57.19,-16.72,;57.61,-18.2,;59.06,-18.73,;59.32,-20.25,;60.77,-20.78,;61.95,-19.79,;61.68,-18.27,;60.23,-17.74,;56.34,-19.06,;56.28,-20.59,;54.92,-21.31,;54.86,-22.85,;56.17,-23.67,;57.53,-22.94,;58.84,-23.76,;57.58,-21.41,;58.94,-20.68,;54.78,-15.39,;53.24,-15.34,;52.82,-13.86,;54.09,-13,;55.31,-13.94,)| Show InChI InChI=1S/C22H18Cl2F2N6/c23-14-7-4-8-17(18(14)26)32-20(13-9-10-16(25)15(24)11-13)19(21-28-30-31-29-21)27-22(32)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,28,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012588
(CHEMBL3260813)Show SMILES OC(=O)c1nc(-c2ccccc2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F |(7.47,-12.21,;6.8,-13.6,;5.26,-13.71,;7.66,-14.88,;9.2,-14.93,;9.63,-16.41,;11.07,-16.94,;11.33,-18.46,;12.78,-18.99,;13.96,-18,;13.69,-16.48,;12.25,-15.95,;8.35,-17.27,;7.14,-16.32,;5.6,-16.32,;4.83,-17.64,;3.29,-17.64,;2.52,-16.3,;.98,-16.29,;3.3,-14.97,;2.53,-13.63,;4.84,-14.98,;8.29,-18.81,;6.93,-19.53,;6.87,-21.06,;8.18,-21.88,;9.54,-21.16,;10.85,-21.97,;9.59,-19.62,;10.95,-18.89,)| Show InChI InChI=1S/C22H12Cl2F2N2O2/c23-14-7-4-8-17(18(14)26)28-20(13-9-10-16(25)15(24)11-13)19(22(29)30)27-21(28)12-5-2-1-3-6-12/h1-11H,(H,29,30) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012591
(CHEMBL3260819)Show SMILES CNC(=O)Cc1ccc(Cl)c(F)c1-n1c(nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1)C1CCCCC1 |(31.38,-37.05,;32.74,-36.33,;32.8,-34.79,;31.49,-33.97,;34.16,-34.07,;35.46,-34.89,;35.41,-36.43,;36.71,-37.25,;38.08,-36.52,;39.38,-37.33,;38.13,-34.99,;39.49,-34.26,;36.83,-34.17,;36.88,-32.64,;38.16,-31.78,;37.74,-30.3,;36.19,-30.25,;35.32,-28.97,;33.79,-28.92,;33.36,-27.44,;34.64,-26.58,;34.69,-25.04,;35.85,-27.52,;35.67,-31.69,;34.13,-31.69,;33.36,-33.01,;31.83,-33.01,;31.05,-31.67,;29.51,-31.66,;31.83,-30.34,;31.07,-29,;33.37,-30.35,;39.6,-32.31,;39.87,-33.83,;41.31,-34.36,;42.49,-33.37,;42.22,-31.85,;40.78,-31.32,)| Show InChI InChI=1S/C26H24Cl2F2N6O2/c1-32-19(37)12-15-7-9-16(27)20(30)22(15)36-23(14-8-10-18(29)17(28)11-14)21(25-34-35-26(31)38-25)33-24(36)13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H2,31,35)(H,32,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012590
(CHEMBL3260814)Show SMILES OC(=O)c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F |(23.17,-13.47,;22.5,-14.86,;20.96,-14.97,;23.36,-16.14,;24.91,-16.19,;25.33,-17.67,;26.77,-18.2,;27.04,-19.72,;28.48,-20.25,;29.67,-19.26,;29.39,-17.74,;27.95,-17.21,;24.05,-18.53,;22.84,-17.58,;21.3,-17.58,;20.53,-18.9,;18.99,-18.9,;18.22,-17.56,;16.68,-17.55,;19,-16.23,;18.24,-14.89,;20.54,-16.24,;24,-20.07,;22.63,-20.79,;22.58,-22.32,;23.88,-23.14,;25.25,-22.41,;26.56,-23.23,;25.3,-20.88,;26.66,-20.15,)| Show InChI InChI=1S/C22H18Cl2F2N2O2/c23-14-7-4-8-17(18(14)26)28-20(13-9-10-16(25)15(24)11-13)19(22(29)30)27-21(28)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012593
(CHEMBL3260820)Show SMILES Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1c(CC(=O)Nc2ccccc2)ccc(Cl)c1F |(48.79,-24.38,;48.74,-25.92,;47.46,-26.78,;47.89,-28.26,;49.43,-28.31,;49.96,-26.86,;50.3,-29.59,;51.84,-29.64,;52.26,-31.12,;53.71,-31.65,;53.97,-33.17,;55.42,-33.7,;56.6,-32.71,;56.33,-31.19,;54.88,-30.66,;50.99,-31.98,;49.77,-31.03,;48.24,-31.03,;47.47,-32.35,;45.93,-32.35,;45.16,-31.01,;43.62,-31,;45.94,-29.68,;45.17,-28.34,;47.48,-29.69,;50.93,-33.51,;49.57,-34.23,;48.26,-33.42,;46.9,-34.13,;45.6,-33.32,;46.84,-35.67,;45.48,-36.39,;44.18,-35.57,;42.82,-36.29,;42.77,-37.83,;44.08,-38.65,;45.43,-37.93,;49.51,-35.77,;50.82,-36.59,;52.18,-35.86,;53.49,-36.68,;52.23,-34.33,;53.59,-33.6,)| Show InChI InChI=1S/C31H26Cl2F2N6O2/c32-21-13-11-19(16-24(42)37-20-9-5-2-6-10-20)27(25(21)35)41-28(18-12-14-23(34)22(33)15-18)26(30-39-40-31(36)43-30)38-29(41)17-7-3-1-4-8-17/h2,5-6,9-15,17H,1,3-4,7-8,16H2,(H2,36,40)(H,37,42) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012592
(CHEMBL3260818)Show SMILES Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F |(19.48,-25.13,;19.43,-26.67,;18.15,-27.53,;18.58,-29.01,;20.12,-29.06,;20.64,-27.62,;20.99,-30.34,;22.53,-30.39,;22.95,-31.88,;24.4,-32.4,;24.66,-33.92,;26.1,-34.45,;27.29,-33.46,;27.02,-31.94,;25.57,-31.42,;21.67,-32.74,;20.46,-31.79,;18.93,-31.78,;18.16,-33.11,;16.62,-33.1,;15.85,-31.76,;14.31,-31.75,;16.63,-30.43,;15.86,-29.09,;18.17,-30.44,;21.62,-34.27,;20.26,-34.99,;20.2,-36.52,;21.51,-37.34,;22.87,-36.62,;24.18,-37.43,;22.92,-35.08,;24.28,-34.35,)| Show InChI InChI=1S/C23H19Cl2F2N5O/c24-14-7-4-8-17(18(14)27)32-20(13-9-10-16(26)15(25)11-13)19(22-30-31-23(28)33-22)29-21(32)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H2,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012594
(CHEMBL3260811)Show SMILES OC(=O)c1nc(-c2ccccc2)n(c1-c1cccc(Cl)c1)-c1cccc(Cl)c1F |(41.13,-1.76,;40.46,-3.15,;38.92,-3.25,;41.32,-4.43,;42.86,-4.48,;43.29,-5.96,;44.73,-6.49,;44.99,-8.01,;46.44,-8.54,;47.62,-7.55,;47.35,-6.03,;45.91,-5.5,;42.01,-6.82,;40.8,-5.87,;39.26,-5.87,;38.49,-7.19,;36.95,-7.19,;36.18,-5.85,;36.96,-4.52,;36.19,-3.18,;38.5,-4.53,;41.95,-8.36,;40.59,-9.08,;40.53,-10.61,;41.84,-11.43,;43.21,-10.7,;44.51,-11.52,;43.26,-9.17,;44.61,-8.44,)| Show InChI InChI=1S/C22H13Cl2FN2O2/c23-15-9-4-8-14(12-15)20-19(22(28)29)26-21(13-6-2-1-3-7-13)27(20)17-11-5-10-16(24)18(17)25/h1-12H,(H,28,29) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012595
(CHEMBL3260812)Show SMILES Cc1cccc(c1)-c1nc(C(O)=O)c(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1C |(65.23,-4.64,;64.05,-5.63,;64.32,-7.16,;63.14,-8.15,;61.7,-7.62,;61.43,-6.1,;62.61,-5.11,;59.99,-5.57,;59.57,-4.09,;58.02,-4.03,;57.16,-2.75,;57.83,-1.37,;55.62,-2.86,;57.5,-5.48,;55.96,-5.47,;55.19,-6.8,;53.66,-6.8,;52.88,-5.46,;53.66,-4.12,;52.9,-2.79,;55.2,-4.13,;58.71,-6.43,;58.66,-7.96,;59.96,-8.77,;59.91,-10.31,;61.22,-11.12,;58.54,-11.04,;57.24,-10.22,;57.29,-8.68,;55.99,-7.86,)| Show InChI InChI=1S/C24H18Cl2N2O2/c1-14-5-3-7-17(11-14)23-27-21(24(29)30)22(16-6-4-8-18(25)12-16)28(23)20-13-19(26)10-9-15(20)2/h3-13H,1-2H3,(H,29,30) | 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
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012596
(CHEMBL3260810)Show SMILES Cc1ccc(Cl)cc1-n1c(nc(C(O)=O)c1-c1cccc(Cl)c1)-c1ccccc1 |(21.82,-8.31,;23.13,-9.13,;23.07,-10.66,;24.38,-11.48,;25.74,-10.75,;27.05,-11.57,;25.79,-9.22,;24.49,-8.41,;24.55,-6.87,;25.82,-6.01,;25.4,-4.53,;23.86,-4.48,;22.99,-3.2,;23.67,-1.81,;21.46,-3.31,;23.33,-5.92,;21.8,-5.92,;21.03,-7.24,;19.49,-7.24,;18.72,-5.9,;19.5,-4.57,;18.73,-3.23,;21.04,-4.58,;27.27,-6.54,;27.53,-8.06,;28.98,-8.59,;30.16,-7.6,;29.89,-6.08,;28.44,-5.56,)| Show InChI InChI=1S/C23H16Cl2N2O2/c1-14-10-11-18(25)13-19(14)27-21(16-8-5-9-17(24)12-16)20(23(28)29)26-22(27)15-6-3-2-4-7-15/h2-13H,1H3,(H,28,29) | 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012597
(CHEMBL3260815)Show SMILES NC(=O)c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F |(38.74,-13.77,;38.07,-15.15,;36.53,-15.26,;38.93,-16.43,;40.48,-16.49,;40.9,-17.97,;42.34,-18.5,;42.61,-20.02,;44.05,-20.55,;45.24,-19.56,;44.96,-18.04,;43.52,-17.51,;39.62,-18.83,;38.41,-17.88,;36.87,-17.88,;36.1,-19.2,;34.56,-19.2,;33.79,-17.86,;32.25,-17.85,;34.57,-16.53,;33.81,-15.19,;36.11,-16.53,;39.57,-20.37,;38.2,-21.09,;38.14,-22.62,;39.45,-23.44,;40.82,-22.71,;42.13,-23.53,;40.87,-21.18,;42.23,-20.45,)| Show InChI InChI=1S/C22H19Cl2F2N3O/c23-14-7-4-8-17(18(14)26)29-20(13-9-10-16(25)15(24)11-13)19(21(27)30)28-22(29)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H2,27,30) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012598
(CHEMBL3260817)Show SMILES Cc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F |(5.33,-24.81,;5.28,-26.35,;4.01,-27.21,;4.43,-28.69,;5.97,-28.75,;6.5,-27.3,;6.84,-30.02,;8.38,-30.08,;8.8,-31.56,;10.25,-32.08,;10.51,-33.6,;11.96,-34.13,;13.14,-33.14,;12.87,-31.62,;11.42,-31.1,;7.53,-32.42,;6.32,-31.47,;4.78,-31.46,;4.01,-32.79,;2.47,-32.78,;1.7,-31.44,;.16,-31.44,;2.48,-30.11,;1.72,-28.77,;4.02,-30.12,;7.47,-33.95,;6.11,-34.67,;6.05,-36.21,;7.36,-37.03,;8.72,-36.3,;10.03,-37.11,;8.77,-34.76,;10.13,-34.04,)| Show InChI InChI=1S/C24H20Cl2F2N4O/c1-13-30-31-24(33-13)21-22(15-10-11-18(27)17(26)12-15)32(19-9-5-8-16(25)20(19)28)23(29-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7H2,1H3 | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50012599
(CHEMBL3260809)Show SMILES OC(=O)c1nc(-c2ccccc2)n(c1-c1cccc(Cl)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H14Cl2N2O2/c23-16-9-4-8-15(12-16)20-19(22(27)28)25-21(14-6-2-1-3-7-14)26(20)18-11-5-10-17(24)13-18/h1-13H,(H,27,28) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay |
Bioorg Med Chem Lett 24: 2110-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C |
More data for this
Ligand-Target Pair | |
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