Found 206 hits with Last Name = 'twarda-clapa' and Initial = 'a' 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)) | BDBM50515627
(CHEMBL4553260)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:35:36:38:42.40.41,THB:40:39:36:42.41.43,40:41:36:38.39.45,43:41:38:36.45.44,43:44:38:42.40.41,(62.85,-14.7,;62.09,-13.36,;62.86,-12.03,;60.55,-13.36,;59.64,-14.6,;58.17,-14.12,;56.84,-14.9,;55.5,-14.12,;54.17,-14.89,;55.51,-12.58,;56.84,-11.81,;58.18,-12.58,;59.64,-12.11,;60.12,-10.64,;59.1,-9.5,;57.59,-9.81,;56.56,-8.66,;57.05,-7.2,;56.02,-6.06,;54.51,-6.37,;53.49,-5.23,;51.98,-5.55,;50.95,-4.4,;49.45,-4.72,;48.42,-3.58,;48.89,-2.11,;50.4,-1.79,;51.43,-2.94,;52.94,-2.62,;54.04,-7.85,;55.07,-8.99,;59.58,-8.03,;58.55,-6.88,;61.63,-10.33,;62.89,-11.2,;62.11,-8.86,;63.62,-8.55,;64.71,-9.56,;64.82,-11.31,;65.54,-9.92,;66.91,-9.28,;66.67,-7.66,;65.97,-8.92,;65.56,-6.61,;64.18,-7.24,;64.37,-8.84,)| Show InChI InChI=1S/C36H35BrClN3O5/c37-29-4-2-1-3-23(29)18-46-27-8-5-20(6-9-27)17-41(19-42)34(31-28-10-7-26(38)16-30(28)39-33(31)36(44)45)35(43)40-32-24-12-21-11-22(14-24)15-25(32)13-21/h1-10,16,19,21-22,24-25,32,34,39H,11-15,17-18H2,(H,40,43)(H,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515640
(CHEMBL4532127)Show SMILES [H][C@]12CC[C@@](C)(C(C1)NC(=O)C(N(Cc1ccc(OCc3ccccc3Br)cc1)C=O)c1c([nH]c3cc(Cl)ccc13)C(O)=O)C2(C)C |r,TLB:8:6:44:2.3| Show InChI InChI=1S/C36H37BrClN3O5/c1-35(2)23-14-15-36(35,3)29(16-23)40-33(43)32(30-26-13-10-24(38)17-28(26)39-31(30)34(44)45)41(20-42)18-21-8-11-25(12-9-21)46-19-22-6-4-5-7-27(22)37/h4-13,17,20,23,29,32,39H,14-16,18-19H2,1-3H3,(H,40,43)(H,44,45)/t23-,29?,32?,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266878
(CHEMBL4078749)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.91,-19.06,;15.68,-20.39,;14.91,-21.72,;17.22,-20.39,;18.12,-21.64,;19.59,-21.16,;20.92,-21.93,;22.25,-21.16,;23.59,-21.93,;22.25,-19.62,;20.92,-18.85,;19.59,-19.62,;18.12,-19.15,;17.64,-17.68,;18.56,-16.44,;17.64,-15.19,;16.19,-15.67,;16.19,-17.21,;14.94,-18.11,;13.53,-17.48,;12.28,-18.39,;10.88,-17.77,;10.72,-16.23,;9.31,-15.61,;11.96,-15.33,;13.37,-15.96,;20.1,-16.44,;20.86,-17.78,;22.4,-17.78,;23.17,-16.44,;24.71,-16.44,;22.39,-15.1,;20.85,-15.11,)| Show InChI InChI=1S/C25H16Cl2FN3O2/c26-16-5-1-14(2-6-16)12-31-13-29-22(15-3-8-18(28)9-4-15)24(31)21-19-10-7-17(27)11-20(19)30-23(21)25(32)33/h1-11,13,30H,12H2,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266884
(CHEMBL4084081)Show SMILES Fc1ccc(cc1)-c1ncn(Cc2ccc(Cl)cc2)c1-c1c([nH]c2cc(Cl)ccc12)C(=O)N1CCC(CC1)N1CCOCC1 |(30,-14.56,;28.46,-14.56,;27.69,-13.23,;26.15,-13.23,;25.38,-14.56,;26.15,-15.9,;27.69,-15.9,;23.84,-14.56,;22.94,-13.32,;21.47,-13.79,;21.47,-15.33,;20.22,-16.24,;18.82,-15.61,;17.57,-16.52,;16.17,-15.9,;16.01,-14.36,;14.6,-13.73,;17.25,-13.46,;18.66,-14.08,;22.94,-15.81,;23.41,-17.27,;22.51,-18.52,;23.41,-19.77,;24.88,-19.29,;26.21,-20.06,;27.55,-19.29,;28.88,-20.06,;27.55,-17.75,;26.21,-16.98,;24.88,-17.75,;20.97,-18.52,;20.2,-17.19,;20.2,-19.85,;20.97,-21.19,;20.2,-22.52,;18.66,-22.52,;17.89,-21.19,;18.66,-19.85,;17.89,-23.85,;18.66,-25.19,;17.89,-26.52,;16.35,-26.52,;15.58,-25.19,;16.35,-23.85,)| Show InChI InChI=1S/C34H32Cl2FN5O2/c35-24-5-1-22(2-6-24)20-42-21-38-31(23-3-8-26(37)9-4-23)33(42)30-28-10-7-25(36)19-29(28)39-32(30)34(43)41-13-11-27(12-14-41)40-15-17-44-18-16-40/h1-10,19,21,27,39H,11-18,20H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266882
(CHEMBL4085272)Show SMILES OC(=O)CCC(=O)OCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(11.56,-10.6,;12.33,-11.94,;11.56,-13.27,;13.87,-11.94,;14.64,-13.27,;16.18,-13.27,;16.95,-11.94,;16.95,-14.6,;18.49,-14.6,;19.26,-15.94,;20.8,-15.94,;21.57,-17.27,;23.11,-17.27,;23.88,-18.6,;25.42,-18.6,;26.19,-17.27,;25.42,-15.94,;27.73,-17.27,;28.64,-18.52,;30.1,-18.04,;31.43,-18.81,;32.77,-18.04,;34.1,-18.81,;32.77,-16.5,;31.43,-15.73,;30.1,-16.5,;28.64,-16.02,;28.16,-14.56,;29.06,-13.31,;28.16,-12.07,;26.69,-12.54,;26.69,-14.08,;25.45,-14.98,;24.04,-14.36,;22.8,-15.27,;21.39,-14.64,;21.23,-13.11,;19.82,-12.48,;22.48,-12.2,;23.88,-12.83,;30.6,-13.31,;31.37,-11.98,;32.91,-11.98,;33.68,-13.31,;35.22,-13.31,;32.91,-14.65,;31.37,-14.65,)| Show InChI InChI=1S/C35H32Cl2FN3O6/c36-24-9-5-22(6-10-24)20-41-21-39-32(23-7-12-26(38)13-8-23)34(41)31-27-14-11-25(37)19-28(27)40-33(31)35(45)47-18-4-2-1-3-17-46-30(44)16-15-29(42)43/h5-14,19,21,40H,1-4,15-18,20H2,(H,42,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266885
(CHEMBL4077617)Show SMILES Fc1ccc(cc1)-c1ncn(Cc2ccc(Cl)cc2)c1-c1c([nH]c2cc(Cl)ccc12)C(=O)OCCN1CCOCC1 |(30.21,-12.02,;28.67,-12.02,;27.9,-10.69,;26.36,-10.69,;25.59,-12.02,;26.36,-13.35,;27.9,-13.35,;24.05,-12.02,;23.14,-10.78,;21.68,-11.25,;21.68,-12.79,;20.43,-13.69,;19.02,-13.07,;17.78,-13.98,;16.37,-13.35,;16.21,-11.82,;14.8,-11.19,;17.45,-10.91,;18.86,-11.54,;23.14,-13.27,;23.61,-14.73,;22.71,-15.98,;23.61,-17.23,;25.08,-16.75,;26.41,-17.52,;27.75,-16.75,;29.08,-17.52,;27.75,-15.21,;26.41,-14.44,;25.08,-15.21,;21.17,-15.98,;20.4,-14.65,;20.4,-17.31,;18.86,-17.31,;18.09,-18.65,;16.55,-18.65,;15.78,-19.98,;14.24,-19.98,;13.47,-18.65,;14.24,-17.31,;15.78,-17.31,)| Show InChI InChI=1S/C31H27Cl2FN4O3/c32-22-5-1-20(2-6-22)18-38-19-35-28(21-3-8-24(34)9-4-21)30(38)27-25-10-7-23(33)17-26(25)36-29(27)31(39)41-16-13-37-11-14-40-15-12-37/h1-10,17,19,36H,11-16,18H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234663
(CHEMBL4069310)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(OCc2ccccc2F)cc1 Show InChI InChI=1S/C32H32ClFN6O3/c33-23-12-15-25-27(16-23)36-30(32(41)42)28(25)29(35-17-20-6-2-1-3-7-20)31-37-38-39-40(31)18-21-10-13-24(14-11-21)43-19-22-8-4-5-9-26(22)34/h4-5,8-16,20,29,35-36H,1-3,6-7,17-19H2,(H,41,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266877
(CHEMBL4098976)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(F)c(F)c1)-c1ccc(F)cc1 |(17.08,-16.49,;17.85,-15.17,;17.08,-13.82,;19.39,-15.17,;20.29,-16.42,;21.76,-15.92,;23.1,-16.69,;24.43,-15.92,;25.76,-16.69,;24.42,-14.37,;23.09,-13.61,;21.76,-14.39,;20.29,-13.91,;19.81,-12.44,;20.72,-11.21,;19.81,-9.96,;18.35,-10.43,;18.35,-11.98,;17.1,-12.89,;15.69,-12.26,;15.53,-10.73,;14.12,-10.11,;12.88,-11.01,;11.47,-10.39,;13.04,-12.55,;11.8,-13.45,;14.45,-13.17,;22.26,-11.21,;23.02,-12.55,;24.56,-12.55,;25.34,-11.22,;26.88,-11.22,;24.57,-9.88,;23.03,-9.88,)| Show InChI InChI=1S/C25H15ClF3N3O2/c26-15-4-7-17-20(10-15)31-23(25(33)34)21(17)24-22(14-2-5-16(27)6-3-14)30-12-32(24)11-13-1-8-18(28)19(29)9-13/h1-10,12,31H,11H2,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266879
(CHEMBL4072678)Show SMILES OC(=O)c1ccc(CNC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(ncn2Cc2ccc(Cl)cc2)-c2ccc(F)cc2)cc1 |(10.42,-22.35,;11.96,-22.35,;12.74,-23.68,;12.72,-21.02,;11.95,-19.68,;12.71,-18.35,;14.25,-18.34,;15.01,-17.01,;16.55,-17,;17.32,-15.67,;16.54,-14.33,;18.85,-15.66,;19.75,-16.91,;21.21,-16.42,;22.56,-17.17,;23.87,-16.4,;25.21,-17.16,;23.86,-14.86,;22.54,-14.1,;21.21,-14.89,;19.75,-14.4,;19.27,-12.95,;20.17,-11.7,;19.26,-10.47,;17.8,-10.94,;17.8,-12.48,;16.57,-13.39,;15.17,-12.77,;13.93,-13.69,;12.51,-13.07,;12.35,-11.54,;10.95,-10.91,;13.58,-10.63,;15,-11.24,;21.71,-11.7,;22.46,-10.36,;24,-10.35,;24.77,-11.69,;26.31,-11.67,;24.01,-13.01,;22.47,-13.03,;15.02,-19.67,;14.26,-21.01,)| Show InChI InChI=1S/C33H23Cl2FN4O3/c34-23-9-3-20(4-10-23)17-40-18-38-29(21-7-12-25(36)13-8-21)31(40)28-26-14-11-24(35)15-27(26)39-30(28)32(41)37-16-19-1-5-22(6-2-19)33(42)43/h1-15,18,39H,16-17H2,(H,37,41)(H,42,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234697
(CHEMBL4071258)Show SMILES CCCCCNC(c1nnnn1Cc1ccc(OCc2ccccc2Cl)cc1)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H30Cl2N6O3/c1-2-3-6-15-33-27(26-23-14-11-21(31)16-25(23)34-28(26)30(39)40)29-35-36-37-38(29)17-19-9-12-22(13-10-19)41-18-20-7-4-5-8-24(20)32/h4-5,7-14,16,27,33-34H,2-3,6,15,17-18H2,1H3,(H,39,40) | 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
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM31197
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515604
(CHEMBL4562216)Show SMILES CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C30H29BrClN3O5/c1-30(2,3)34-28(37)27(25-22-13-10-20(32)14-24(22)33-26(25)29(38)39)35(17-36)15-18-8-11-21(12-9-18)40-16-19-6-4-5-7-23(19)31/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515618
(CHEMBL4453505)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2I)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H29ClIN3O5/c1-30(2,3)34-28(37)27(25-22-13-10-20(31)14-24(22)33-26(25)29(38)39)35(17-36)15-18-8-11-21(12-9-18)40-16-19-6-4-5-7-23(19)32/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
| PC cid
PC sid
UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266906
(CHEMBL4099580)Show SMILES CN1CCN(CC1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(16.72,-22.63,;17.49,-21.31,;19.03,-21.31,;19.8,-19.97,;19.03,-18.63,;17.49,-18.63,;16.72,-19.97,;19.8,-17.3,;19.03,-15.97,;21.34,-17.3,;22.24,-18.55,;23.71,-18.07,;25.05,-18.84,;26.38,-18.07,;27.71,-18.84,;26.38,-16.53,;25.05,-15.76,;23.71,-16.53,;22.24,-16.05,;21.77,-14.59,;22.68,-13.34,;21.77,-12.1,;20.31,-12.57,;20.31,-14.11,;19.06,-15.02,;17.65,-14.39,;16.41,-15.3,;15,-14.67,;14.84,-13.14,;13.43,-12.52,;16.08,-12.23,;17.49,-12.86,;24.22,-13.34,;24.99,-12.01,;26.53,-12.01,;27.3,-13.34,;28.84,-13.34,;26.53,-14.68,;24.99,-14.68,)| Show InChI InChI=1S/C30H26Cl2FN5O/c1-36-12-14-37(15-13-36)30(39)28-26(24-11-8-22(32)16-25(24)35-28)29-27(20-4-9-23(33)10-5-20)34-18-38(29)17-19-2-6-21(31)7-3-19/h2-11,16,18,35H,12-15,17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266898
(CHEMBL4091842)Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(17.26,-24.64,;16.49,-23.3,;17.26,-21.97,;16.49,-20.64,;14.95,-20.64,;17.26,-19.3,;18.8,-19.3,;19.57,-17.97,;18.8,-16.64,;17.26,-16.64,;16.49,-17.97,;19.57,-15.3,;18.8,-13.96,;21.11,-15.3,;22.02,-16.55,;23.48,-16.07,;24.82,-16.84,;26.14,-16.07,;27.48,-16.84,;26.14,-14.53,;24.82,-13.76,;23.48,-14.53,;22.02,-14.06,;21.54,-12.59,;22.45,-11.34,;21.54,-10.1,;20.08,-10.57,;20.08,-12.11,;18.83,-13.02,;17.42,-12.4,;16.18,-13.3,;14.77,-12.67,;14.61,-11.14,;13.2,-10.51,;15.85,-10.24,;17.26,-10.86,;23.99,-11.34,;24.76,-10.01,;26.3,-10.01,;27.07,-11.34,;28.61,-11.34,;26.3,-12.68,;24.76,-12.68,)| Show InChI InChI=1S/C33H29Cl2FN4O3/c1-2-43-33(42)22-13-15-39(16-14-22)32(41)30-28(26-12-9-24(35)17-27(26)38-30)31-29(21-5-10-25(36)11-6-21)37-19-40(31)18-20-3-7-23(34)8-4-20/h3-12,17,19,22,38H,2,13-16,18H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234681
(CHEMBL4081794)Show SMILES CCCCCNC(c1nnnn1Cc1ccc(OCc2ccccc2F)cc1)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H30ClFN6O3/c1-2-3-6-15-33-27(26-23-14-11-21(31)16-25(23)34-28(26)30(39)40)29-35-36-37-38(29)17-19-9-12-22(13-10-19)41-18-20-7-4-5-8-24(20)32/h4-5,7-14,16,27,33-34H,2-3,6,15,17-18H2,1H3,(H,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266870
(CHEMBL4104110)Show SMILES OC(=O)CCC(=O)NCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(13.19,-25.49,;13.93,-24.13,;13.12,-22.82,;15.47,-24.08,;16.2,-22.73,;15.39,-21.42,;13.85,-21.46,;16.12,-20.07,;17.66,-20.02,;18.39,-18.66,;19.93,-18.61,;20.66,-17.26,;19.85,-15.95,;22.2,-17.21,;23.14,-18.43,;24.59,-17.92,;25.95,-18.64,;27.26,-17.84,;28.62,-18.56,;27.22,-16.3,;25.86,-15.56,;24.55,-16.38,;23.07,-15.95,;22.55,-14.49,;23.42,-13.22,;22.48,-12,;21.03,-12.52,;21.07,-14.06,;19.85,-15,;18.43,-14.42,;17.21,-15.36,;15.78,-14.77,;15.58,-13.25,;14.15,-12.66,;16.8,-12.3,;18.22,-12.89,;24.96,-13.18,;25.69,-11.82,;27.23,-11.78,;28.04,-13.09,;29.58,-13.04,;27.3,-14.44,;25.77,-14.49,)| Show InChI InChI=1S/C31H25Cl2FN4O5/c32-20-5-1-18(2-6-20)16-38-17-36-28(19-3-8-22(34)9-4-19)30(38)27-23-10-7-21(33)15-24(23)37-29(27)31(42)43-14-13-35-25(39)11-12-26(40)41/h1-10,15,17,37H,11-14,16H2,(H,35,39)(H,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266876
(CHEMBL4093959)Show SMILES OC(=O)CCC(=O)NCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(9.15,-11.62,;9.92,-12.95,;9.15,-14.28,;11.46,-12.95,;12.23,-14.28,;13.77,-14.28,;14.54,-12.95,;14.54,-15.62,;16.08,-15.62,;16.85,-16.95,;18.39,-16.95,;19.16,-18.29,;20.7,-18.29,;21.47,-19.62,;23.01,-19.62,;23.78,-18.29,;23.01,-16.95,;25.32,-18.29,;26.23,-19.53,;27.69,-19.06,;29.02,-19.83,;30.36,-19.06,;31.69,-19.83,;30.36,-17.52,;29.02,-16.75,;27.69,-17.52,;26.23,-17.04,;25.75,-15.57,;26.65,-14.33,;25.75,-13.08,;24.28,-13.56,;24.28,-15.1,;23.04,-16,;21.63,-15.38,;20.39,-16.28,;18.98,-15.66,;18.82,-14.12,;17.41,-13.49,;20.07,-13.22,;21.47,-13.85,;28.19,-14.33,;28.96,-13,;30.5,-13,;31.27,-14.33,;32.81,-14.33,;30.5,-15.66,;28.96,-15.66,)| Show InChI InChI=1S/C35H33Cl2FN4O5/c36-24-9-5-22(6-10-24)20-42-21-40-32(23-7-12-26(38)13-8-23)34(42)31-27-14-11-25(37)19-28(27)41-33(31)35(46)47-18-4-2-1-3-17-39-29(43)15-16-30(44)45/h5-14,19,21,41H,1-4,15-18,20H2,(H,39,43)(H,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266901
(CHEMBL4063649)Show SMILES OCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(12.66,-16.37,;14.2,-16.37,;14.97,-17.7,;16.51,-17.7,;17.28,-19.04,;18.82,-19.04,;19.59,-20.38,;21.13,-20.38,;21.9,-19.04,;21.13,-17.7,;23.44,-19.04,;24.34,-20.28,;25.81,-19.81,;27.14,-20.58,;28.48,-19.81,;29.81,-20.58,;28.48,-18.27,;27.14,-17.5,;25.81,-18.27,;24.34,-17.79,;23.87,-16.33,;24.77,-15.08,;23.87,-13.83,;22.4,-14.31,;22.4,-15.85,;21.16,-16.76,;19.75,-16.14,;18.5,-17.04,;17.1,-16.41,;16.94,-14.87,;15.53,-14.25,;18.18,-13.97,;19.59,-14.6,;26.31,-15.08,;27.08,-13.75,;28.62,-13.75,;29.39,-15.08,;30.93,-15.08,;28.62,-16.41,;27.08,-16.41,)| Show InChI InChI=1S/C31H28Cl2FN3O3/c32-22-9-5-20(6-10-22)18-37-19-35-28(21-7-12-24(34)13-8-21)30(37)27-25-14-11-23(33)17-26(25)36-29(27)31(39)40-16-4-2-1-3-15-38/h5-14,17,19,36,38H,1-4,15-16,18H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266895
(CHEMBL4089364)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2cc(F)cc(F)c2)cc1)-c1ccc(F)cc1 |(17.67,-17.78,;18.44,-16.46,;17.67,-15.11,;19.98,-16.46,;20.88,-17.71,;22.35,-17.21,;23.69,-17.98,;25.02,-17.21,;26.35,-17.98,;25.01,-15.66,;23.68,-14.9,;22.34,-15.68,;20.88,-15.2,;20.4,-13.73,;21.3,-12.5,;20.4,-11.25,;18.94,-11.72,;18.94,-13.27,;17.69,-14.18,;16.28,-13.55,;16.12,-12.02,;14.71,-11.4,;13.47,-12.3,;12.06,-11.68,;10.82,-12.58,;9.41,-11.96,;9.25,-10.43,;7.85,-9.8,;7.68,-8.27,;6.6,-10.71,;6.77,-12.25,;5.52,-13.16,;8.17,-12.87,;13.63,-13.84,;15.04,-14.46,;22.84,-12.5,;23.61,-13.84,;25.15,-13.84,;25.93,-12.51,;27.47,-12.51,;25.16,-11.17,;23.62,-11.17,)| Show InChI InChI=1S/C32H21ClF3N3O3/c33-21-5-10-26-27(13-21)38-30(32(40)41)28(26)31-29(20-3-6-22(34)7-4-20)37-17-39(31)15-18-1-8-25(9-2-18)42-16-19-11-23(35)14-24(36)12-19/h1-14,17,38H,15-16H2,(H,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234669
(CHEMBL4070498)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C25H26Cl2N6O2/c26-17-8-6-16(7-9-17)14-33-24(30-31-32-33)22(28-13-15-4-2-1-3-5-15)21-19-11-10-18(27)12-20(19)29-23(21)25(34)35/h6-12,15,22,28-29H,1-5,13-14H2,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515628
(CHEMBL4470904)Show SMILES [H][C@]12CC[C@@](C)(C(C1)NC(=O)C(N(Cc1ccc(OCc3ccc(Br)cc3)cc1)C=O)c1c([nH]c3cc(Cl)ccc13)C(O)=O)C2(C)C |r,TLB:8:6:44:2.3| Show InChI InChI=1S/C36H37BrClN3O5/c1-35(2)23-14-15-36(35,3)29(16-23)40-33(43)32(30-27-13-10-25(38)17-28(27)39-31(30)34(44)45)41(20-42)18-21-6-11-26(12-7-21)46-19-22-4-8-24(37)9-5-22/h4-13,17,20,23,29,32,39H,14-16,18-19H2,1-3H3,(H,40,43)(H,44,45)/t23-,29?,32?,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515641
(CHEMBL4451308)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H29BrClN3O5/c1-30(2,3)34-28(37)27(25-22-13-10-20(32)14-24(22)33-26(25)29(38)39)35(17-36)15-18-8-11-21(12-9-18)40-16-19-6-4-5-7-23(19)31/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
| PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234683
(CHEMBL4098304)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(OCc2ccccc2Br)cc1 Show InChI InChI=1S/C32H32BrClN6O3/c33-26-9-5-4-8-22(26)19-43-24-13-10-21(11-14-24)18-40-31(37-38-39-40)29(35-17-20-6-2-1-3-7-20)28-25-15-12-23(34)16-27(25)36-30(28)32(41)42/h4-5,8-16,20,29,35-36H,1-3,6-7,17-19H2,(H,41,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234668
(CHEMBL4099156)Show SMILES CCCCCNC(c1nnnn1Cc1ccc(Cl)cc1)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C23H24Cl2N6O2/c1-2-3-4-11-26-20(19-17-10-9-16(25)12-18(17)27-21(19)23(32)33)22-28-29-30-31(22)13-14-5-7-15(24)8-6-14/h5-10,12,20,26-27H,2-4,11,13H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50279230
(CHEMBL4170591)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C1N(Cc2ccc(Cl)c(Cl)c2)C(=O)CCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C32H38Cl3N3O4/c33-22-14-15-23-26(19-22)37-29(32(41)42)28(23)30-31(40)36-17-11-9-7-5-3-1-2-4-6-8-10-12-27(39)38(30)20-21-13-16-24(34)25(35)18-21/h13-16,18-19,30,37H,1-12,17,20H2,(H,36,40)(H,41,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from recombinant human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL a... |
ACS Med Chem Lett 8: 1025-1030 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00219
BindingDB Entry DOI: 10.7270/Q2TQ6424 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234682
(CHEMBL4097386)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCc1ccc(Cl)cc1)c1nnnn1Cc1ccc(OCc2ccccc2Br)cc1 Show InChI InChI=1S/C32H25BrCl2N6O3/c33-26-4-2-1-3-21(26)18-44-24-12-7-20(8-13-24)17-41-31(38-39-40-41)29(36-16-19-5-9-22(34)10-6-19)28-25-14-11-23(35)15-27(25)37-30(28)32(42)43/h1-15,29,36-37H,16-18H2,(H,42,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50279223
(CHEMBL4177057)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1[C@H]1N(Cc2cc(F)c(F)c(F)c2)C(=O)CCCCCCCCCCCCCCNC1=O |r| Show InChI InChI=1S/C33H39ClF3N3O4/c34-22-14-15-23-26(19-22)39-30(33(43)44)28(23)31-32(42)38-16-12-10-8-6-4-2-1-3-5-7-9-11-13-27(41)40(31)20-21-17-24(35)29(37)25(36)18-21/h14-15,17-19,31,39H,1-13,16,20H2,(H,38,42)(H,43,44)/t31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from recombinant human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL a... |
ACS Med Chem Lett 8: 1025-1030 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00219
BindingDB Entry DOI: 10.7270/Q2TQ6424 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266880
(CHEMBL4086204)Show SMILES Cl.NNC(=O)CCCCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(12.69,-19.31,;9.54,-15.45,;10.31,-14.12,;11.85,-14.12,;12.62,-12.78,;12.62,-15.45,;14.16,-15.45,;14.93,-16.78,;16.47,-16.78,;17.24,-18.12,;18.78,-18.12,;19.55,-19.46,;21.09,-19.46,;21.86,-20.78,;23.4,-20.78,;24.17,-19.46,;23.4,-18.12,;25.71,-19.46,;26.61,-20.7,;28.08,-20.23,;29.41,-21,;30.74,-20.23,;32.08,-21,;30.74,-18.69,;29.41,-17.92,;28.08,-18.69,;26.61,-18.21,;26.13,-16.74,;27.05,-15.5,;26.13,-14.25,;24.68,-14.73,;24.68,-16.27,;23.43,-17.17,;22.02,-16.54,;20.78,-17.45,;19.37,-16.83,;19.21,-15.29,;17.8,-14.66,;20.45,-14.39,;21.86,-15.02,;28.59,-15.5,;29.36,-14.16,;30.9,-14.16,;31.67,-15.5,;33.21,-15.5,;30.9,-16.83,;29.36,-16.83,)| Show InChI InChI=1S/C35H36Cl2FN5O3/c36-25-13-9-23(10-14-25)21-43-22-40-32(24-11-16-27(38)17-12-24)34(43)31-28-18-15-26(37)20-29(28)41-33(31)35(45)46-19-7-5-3-1-2-4-6-8-30(44)42-39/h9-18,20,22,41H,1-8,19,21,39H2,(H,42,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234672
(CHEMBL4100946)Show SMILES CCCCCNC(c1nnnn1-c1ccc(cc1)C(C)C)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C25H29ClN6O2/c1-4-5-6-13-27-22(21-19-12-9-17(26)14-20(19)28-23(21)25(33)34)24-29-30-31-32(24)18-10-7-16(8-11-18)15(2)3/h7-12,14-15,22,27-28H,4-6,13H2,1-3H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50279228
(CHEMBL4171622)Show SMILES CC1CCCCCCCCCCCCC(=O)N(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(c2c([nH]c3cc(Cl)ccc23)C(O)=O)C(=O)N1 Show InChI InChI=1S/C40H46Cl3N3O5/c1-26-12-10-8-6-4-2-3-5-7-9-11-13-35(47)46(24-27-14-18-30(19-15-27)51-25-28-16-21-32(42)33(43)22-28)38(39(48)44-26)36-31-20-17-29(41)23-34(31)45-37(36)40(49)50/h14-23,26,38,45H,2-13,24-25H2,1H3,(H,44,48)(H,49,50) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells |
ACS Med Chem Lett 8: 1025-1030 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00219
BindingDB Entry DOI: 10.7270/Q2TQ6424 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234696
(CHEMBL4079358)Show SMILES CCCCCNC(c1nnnn1Cc1ccc(OCc2ccccc2Br)cc1)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H30BrClN6O3/c1-2-3-6-15-33-27(26-23-14-11-21(32)16-25(23)34-28(26)30(39)40)29-35-36-37-38(29)17-19-9-12-22(13-10-19)41-18-20-7-4-5-8-24(20)31/h4-5,7-14,16,27,33-34H,2-3,6,15,17-18H2,1H3,(H,39,40) | 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
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266900
(CHEMBL4081423)Show SMILES Fc1ccc(cc1)-c1ncn(Cc2ccc(Cl)cc2)c1-c1c([nH]c2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |(29.62,-14.08,;28.08,-14.08,;27.31,-12.75,;25.77,-12.75,;25,-14.08,;25.77,-15.42,;27.31,-15.42,;23.46,-14.08,;22.55,-12.84,;21.09,-13.31,;21.09,-14.85,;19.84,-15.75,;18.43,-15.13,;17.19,-16.04,;15.78,-15.41,;15.62,-13.88,;14.21,-13.25,;16.86,-12.97,;18.27,-13.6,;22.55,-15.33,;23.02,-16.79,;22.12,-18.04,;23.02,-19.29,;24.49,-18.81,;25.82,-19.58,;27.16,-18.81,;28.49,-19.58,;27.16,-17.27,;25.82,-16.5,;24.49,-17.27,;20.58,-18.04,;19.81,-16.71,;19.81,-19.37,;18.27,-19.37,;17.5,-20.71,;15.96,-20.71,;15.19,-22.04,;13.65,-22.04,;12.88,-20.71,;13.65,-19.37,;15.19,-19.37,)| Show InChI InChI=1S/C31H28Cl2FN5O2/c32-22-5-1-20(2-6-22)18-39-19-36-28(21-3-8-24(34)9-4-21)30(39)27-25-10-7-23(33)17-26(25)37-29(27)31(40)35-11-12-38-13-15-41-16-14-38/h1-10,17,19,37H,11-16,18H2,(H,35,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234684
(CHEMBL4059877)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C32H32Cl2N6O3/c33-23-12-15-25-27(16-23)36-30(32(41)42)28(25)29(35-17-20-6-2-1-3-7-20)31-37-38-39-40(31)18-21-10-13-24(14-11-21)43-19-22-8-4-5-9-26(22)34/h4-5,8-16,20,29,35-36H,1-3,6-7,17-19H2,(H,41,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515615
(CHEMBL4560676)Show SMILES CC(C)(C)NC(=O)[C@H](N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C30H29BrClN3O5/c1-30(2,3)34-28(37)27(25-22-13-10-20(32)14-24(22)33-26(25)29(38)39)35(17-36)15-18-8-11-21(12-9-18)40-16-19-6-4-5-7-23(19)31/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)/t27-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50279227
(CHEMBL4167203)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C1N(Cc2cc(F)c(F)c(F)c2)C(=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C33H39ClF3N3O4/c34-22-14-15-23-26(19-22)39-30(33(43)44)28(23)31-32(42)38-16-12-10-8-6-4-2-1-3-5-7-9-11-13-27(41)40(31)20-21-17-24(35)29(37)25(36)18-21/h14-15,17-19,31,39H,1-13,16,20H2,(H,38,42)(H,43,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from recombinant human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL a... |
ACS Med Chem Lett 8: 1025-1030 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00219
BindingDB Entry DOI: 10.7270/Q2TQ6424 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266883
(CHEMBL4067165)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2ccccc2Br)cc1)-c1ccc(F)cc1 |(20.01,-19.68,;21.19,-18.7,;20.93,-17.18,;22.64,-19.23,;23.05,-20.72,;24.6,-20.78,;25.59,-21.97,;27.11,-21.72,;28.09,-22.91,;27.65,-20.27,;26.66,-19.08,;25.14,-19.34,;23.92,-18.37,;23.99,-16.83,;25.26,-15.97,;24.87,-14.5,;23.32,-14.44,;22.76,-15.82,;21.27,-16.2,;20.14,-15.16,;20.48,-13.63,;19.38,-12.59,;17.9,-13.06,;16.76,-12.01,;15.28,-12.47,;14.94,-13.98,;16.08,-15.01,;15.74,-16.51,;14.27,-16.97,;13.13,-15.92,;13.48,-14.42,;12.36,-13.37,;17.57,-14.55,;18.7,-15.59,;26.71,-16.49,;26.97,-18.01,;28.42,-18.53,;29.6,-17.54,;31.03,-18.06,;29.32,-16.02,;27.87,-15.5,)| Show InChI InChI=1S/C32H22BrClFN3O3/c33-26-4-2-1-3-21(26)17-41-24-12-5-19(6-13-24)16-38-18-36-29(20-7-10-23(35)11-8-20)31(38)28-25-14-9-22(34)15-27(25)37-30(28)32(39)40/h1-15,18,37H,16-17H2,(H,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234688
(CHEMBL4081177)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NC1CCC1)c1nnnn1-c1ccc(OCc2ccccc2Br)cc1 Show InChI InChI=1S/C28H24BrClN6O3/c29-22-7-2-1-4-16(22)15-39-20-11-9-19(10-12-20)36-27(33-34-35-36)25(31-18-5-3-6-18)24-21-13-8-17(30)14-23(21)32-26(24)28(37)38/h1-2,4,7-14,18,25,31-32H,3,5-6,15H2,(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234674
(CHEMBL4086384)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24Cl2N6O2/c25-15-6-9-17(10-7-15)32-23(29-30-31-32)21(27-13-14-4-2-1-3-5-14)20-18-11-8-16(26)12-19(18)28-22(20)24(33)34/h6-12,14,21,27-28H,1-5,13H2,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234692
(CHEMBL4091422)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCc1ccc(Cl)cc1)c1nnnn1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl3N6O2/c26-16-5-1-14(2-6-16)12-29-22(21-19-10-9-18(28)11-20(19)30-23(21)25(35)36)24-31-32-33-34(24)13-15-3-7-17(27)8-4-15/h1-11,22,29-30H,12-13H2,(H,35,36) | 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
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234699
(CHEMBL4097714)Show SMILES CCCCCNC(c1nnnn1-c1ccc(OCc2ccccc2Br)cc1)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C29H28BrClN6O3/c1-2-3-6-15-32-26(25-22-14-9-19(31)16-24(22)33-27(25)29(38)39)28-34-35-36-37(28)20-10-12-21(13-11-20)40-17-18-7-4-5-8-23(18)30/h4-5,7-14,16,26,32-33H,2-3,6,15,17H2,1H3,(H,38,39) | 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
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50266903
(CHEMBL4096776)Show SMILES COC(=O)c1ccc(CNC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(ncn2Cc2ccc(Cl)cc2)-c2ccc(F)cc2)cc1 |(12.14,-21.66,;12.91,-22.99,;14.45,-22.98,;15.23,-24.31,;15.22,-21.64,;14.44,-20.31,;15.21,-18.98,;16.75,-18.97,;17.51,-17.64,;19.04,-17.63,;19.81,-16.29,;19.03,-14.96,;21.35,-16.29,;22.26,-17.52,;23.72,-17.05,;25.06,-17.81,;26.39,-17.03,;27.72,-17.8,;26.37,-15.49,;25.04,-14.73,;23.71,-15.51,;22.25,-15.03,;21.76,-13.57,;22.67,-12.33,;21.75,-11.08,;20.29,-11.57,;20.3,-13.11,;19.06,-14.02,;17.65,-13.4,;16.41,-14.31,;15,-13.69,;14.83,-12.16,;13.42,-11.54,;16.07,-11.25,;17.48,-11.87,;24.2,-12.32,;24.96,-10.98,;26.5,-10.98,;27.28,-12.31,;28.82,-12.3,;26.51,-13.64,;24.98,-13.65,;17.52,-20.3,;16.76,-21.64,)| Show InChI InChI=1S/C34H25Cl2FN4O3/c1-44-34(43)23-6-2-20(3-7-23)17-38-33(42)31-29(27-15-12-25(36)16-28(27)40-31)32-30(22-8-13-26(37)14-9-22)39-19-41(32)18-21-4-10-24(35)11-5-21/h2-16,19,40H,17-18H2,1H3,(H,38,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 225 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT... |
J Med Chem 60: 4234-4244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234689
(CHEMBL4105428)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(OCc2ccccc2Br)cc1 Show InChI InChI=1S/C31H30BrClN6O3/c32-25-9-5-4-8-20(25)18-42-23-13-11-22(12-14-23)39-30(36-37-38-39)28(34-17-19-6-2-1-3-7-19)27-24-15-10-21(33)16-26(24)35-29(27)31(40)41/h4-5,8-16,19,28,34-35H,1-3,6-7,17-18H2,(H,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515637
(CHEMBL4531806)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C31H29ClF3N3O5/c1-30(2,3)37-28(40)27(25-22-13-10-20(32)14-24(22)36-26(25)29(41)42)38(17-39)15-18-8-11-21(12-9-18)43-16-19-6-4-5-7-23(19)31(33,34)35/h4-14,17,27,36H,15-16H2,1-3H3,(H,37,40)(H,41,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515648
(CHEMBL4535119)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H28Cl3N3O5/c1-30(2,3)35-28(38)27(25-21-10-7-19(31)13-24(21)34-26(25)29(39)40)36(16-37)14-17-4-8-20(9-5-17)41-15-18-6-11-22(32)23(33)12-18/h4-13,16,27,34H,14-15H2,1-3H3,(H,35,38)(H,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515643
(CHEMBL4587068)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCCc2ccccc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C31H32ClN3O5/c1-31(2,3)34-29(37)28(26-24-14-11-22(32)17-25(24)33-27(26)30(38)39)35(19-36)18-21-9-12-23(13-10-21)40-16-15-20-7-5-4-6-8-20/h4-14,17,19,28,33H,15-16,18H2,1-3H3,(H,34,37)(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50234673
(CHEMBL4104282)Show SMILES CCCCCNC(c1nnnn1-c1ccc(Cl)cc1)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C22H22Cl2N6O2/c1-2-3-4-11-25-19(21-27-28-29-30(21)15-8-5-13(23)6-9-15)18-16-10-7-14(24)12-17(16)26-20(18)22(31)32/h5-10,12,19,25-26H,2-4,11H2,1H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029
BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515608
(CHEMBL4464726)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2cccc(Br)c2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H29BrClN3O5/c1-30(2,3)34-28(37)27(25-23-12-9-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-7-10-22(11-8-18)40-16-19-5-4-6-20(31)13-19/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
| PC cid
PC sid
UniChem
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50515616
(CHEMBL4453832)Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(I)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H29ClIN3O5/c1-30(2,3)34-28(37)27(25-23-13-8-20(31)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-9-21(32)10-5-19/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
| PC cid
PC sid
UniChem
| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50279253
(CHEMBL4176936)Show SMILES CC1CCCCCCCC(=O)N(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(c2c([nH]c3cc(Cl)ccc23)C(O)=O)C(=O)N1 Show InChI InChI=1S/C35H36Cl3N3O5/c1-21-7-5-3-2-4-6-8-30(42)41(19-22-9-13-25(14-10-22)46-20-23-11-16-27(37)28(38)17-23)33(34(43)39-21)31-26-15-12-24(36)18-29(26)40-32(31)35(44)45/h9-18,21,33,40H,2-8,19-20H2,1H3,(H,39,43)(H,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from recombinant human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL a... |
ACS Med Chem Lett 8: 1025-1030 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00219
BindingDB Entry DOI: 10.7270/Q2TQ6424 |
More data for this
Ligand-Target Pair | |
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