Found 46 hits with Last Name = 'guzik' and Initial = 'k' 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | BDBM50266902
(CHEMBL4104786)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)-c1ccc(F)cc1 |(20.17,-21.62,;20.94,-20.3,;20.17,-18.95,;22.48,-20.3,;23.38,-21.55,;24.85,-21.05,;26.19,-21.82,;27.53,-21.05,;28.85,-21.82,;27.52,-19.51,;26.19,-18.74,;24.85,-19.52,;23.38,-19.04,;22.9,-17.58,;23.81,-16.34,;22.91,-15.09,;21.44,-15.57,;21.44,-17.11,;20.19,-18.02,;18.79,-17.39,;18.63,-15.87,;17.22,-15.24,;15.97,-16.14,;14.57,-15.52,;13.32,-16.43,;11.91,-15.8,;10.68,-16.71,;9.27,-16.09,;9.1,-14.55,;7.69,-13.93,;10.35,-13.64,;10.19,-12.11,;11.76,-14.27,;16.14,-17.68,;17.54,-18.3,;25.35,-16.34,;26.11,-17.68,;27.65,-17.68,;28.43,-16.35,;29.97,-16.35,;27.66,-15.02,;26.12,-15.01,)| Show InChI InChI=1S/C32H21Cl3FN3O3/c33-21-6-11-24-27(14-21)38-30(32(40)41)28(24)31-29(20-4-7-22(36)8-5-20)37-17-39(31)15-18-1-9-23(10-2-18)42-16-19-3-12-25(34)26(35)13-19/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
| 322 | 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)) | BDBM50266896
(CHEMBL4096099)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2cc(F)c(F)c(F)c2)cc1)-c1ccc(F)cc1 |(19.25,-22.18,;20.01,-20.86,;19.25,-19.51,;21.55,-20.86,;22.46,-22.11,;23.93,-21.61,;25.27,-22.38,;26.6,-21.61,;27.93,-22.38,;26.59,-20.06,;25.26,-19.3,;23.92,-20.08,;22.45,-19.6,;21.98,-18.14,;22.88,-16.9,;21.98,-15.65,;20.51,-16.13,;20.51,-17.67,;19.27,-18.58,;17.86,-17.95,;17.7,-16.43,;16.29,-15.8,;15.05,-16.7,;13.64,-16.08,;12.4,-16.99,;10.99,-16.36,;10.83,-14.83,;9.42,-14.2,;9.26,-12.67,;8.18,-15.11,;6.77,-14.49,;8.34,-16.65,;7.1,-17.56,;9.75,-17.27,;15.21,-18.24,;16.62,-18.86,;24.42,-16.9,;25.19,-18.24,;26.73,-18.24,;27.5,-16.91,;29.04,-16.91,;26.74,-15.58,;25.2,-15.57,)| Show InChI InChI=1S/C32H20ClF4N3O3/c33-20-5-10-23-26(13-20)39-30(32(41)42)27(23)31-29(19-3-6-21(34)7-4-19)38-16-40(31)14-17-1-8-22(9-2-17)43-15-18-11-24(35)28(37)25(36)12-18/h1-13,16,39H,14-15H2,(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
| 433 | 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)) | BDBM50266881
(CHEMBL4094325)Show SMILES CCN(CC)CCNC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.1,-21.32,;15.64,-21.32,;16.41,-22.65,;15.64,-23.99,;16.41,-25.32,;17.95,-22.65,;18.71,-21.32,;20.25,-21.32,;21.02,-19.99,;20.25,-18.65,;22.56,-19.99,;23.47,-21.23,;24.93,-20.76,;26.27,-21.53,;27.6,-20.76,;28.94,-21.53,;27.6,-19.22,;26.27,-18.45,;24.93,-19.22,;23.47,-18.74,;22.99,-17.27,;23.89,-16.02,;22.99,-14.78,;21.53,-15.25,;21.53,-16.79,;20.28,-17.71,;18.87,-17.08,;17.63,-17.98,;16.22,-17.36,;16.06,-15.82,;14.66,-15.2,;17.31,-14.92,;18.72,-15.54,;25.43,-16.02,;26.2,-14.69,;27.74,-14.69,;28.51,-16.02,;30.05,-16.02,;27.74,-17.36,;26.2,-17.36,)| Show InChI InChI=1S/C31H30Cl2FN5O/c1-3-38(4-2)16-15-35-31(40)29-27(25-14-11-23(33)17-26(25)37-29)30-28(21-7-12-24(34)13-8-21)36-19-39(30)18-20-5-9-22(32)10-6-20/h5-14,17,19,37H,3-4,15-16,18H2,1-2H3,(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
| 656 | 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)) | BDBM50266897
(CHEMBL4064085)Show SMILES Fc1ccc(cc1)-c1ncn(Cc2ccc(Cl)cc2)c1-c1c([nH]c2cc(Cl)ccc12)C(=O)NCc1ccc(F)c(F)c1 |(29.37,-12.48,;27.83,-12.48,;27.06,-11.15,;25.52,-11.15,;24.75,-12.48,;25.52,-13.81,;27.06,-13.81,;23.21,-12.48,;22.3,-11.24,;20.84,-11.71,;20.84,-13.25,;19.59,-14.16,;18.18,-13.53,;16.94,-14.43,;15.53,-13.81,;15.37,-12.28,;13.96,-11.65,;16.61,-11.37,;18.02,-11.99,;22.3,-13.73,;22.77,-15.19,;21.87,-16.44,;22.77,-17.68,;24.24,-17.21,;25.57,-17.98,;26.91,-17.21,;28.24,-17.98,;26.91,-15.67,;25.57,-14.9,;24.24,-15.67,;20.33,-16.44,;19.56,-15.11,;19.56,-17.77,;18.02,-17.77,;17.25,-19.11,;15.71,-19.11,;14.94,-20.44,;15.71,-21.77,;14.94,-23.11,;17.25,-21.77,;18.02,-23.11,;18.02,-20.44,)| Show InChI InChI=1S/C32H21Cl2F3N4O/c33-21-6-1-18(2-7-21)16-41-17-39-29(20-4-9-23(35)10-5-20)31(41)28-24-11-8-22(34)14-27(24)40-30(28)32(42)38-15-19-3-12-25(36)26(37)13-19/h1-14,17,40H,15-16H2,(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
| 2.31E+3 | 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.15E+3 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.17E+3 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+3 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50266896
(CHEMBL4096099)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2cc(F)c(F)c(F)c2)cc1)-c1ccc(F)cc1 |(19.25,-22.18,;20.01,-20.86,;19.25,-19.51,;21.55,-20.86,;22.46,-22.11,;23.93,-21.61,;25.27,-22.38,;26.6,-21.61,;27.93,-22.38,;26.59,-20.06,;25.26,-19.3,;23.92,-20.08,;22.45,-19.6,;21.98,-18.14,;22.88,-16.9,;21.98,-15.65,;20.51,-16.13,;20.51,-17.67,;19.27,-18.58,;17.86,-17.95,;17.7,-16.43,;16.29,-15.8,;15.05,-16.7,;13.64,-16.08,;12.4,-16.99,;10.99,-16.36,;10.83,-14.83,;9.42,-14.2,;9.26,-12.67,;8.18,-15.11,;6.77,-14.49,;8.34,-16.65,;7.1,-17.56,;9.75,-17.27,;15.21,-18.24,;16.62,-18.86,;24.42,-16.9,;25.19,-18.24,;26.73,-18.24,;27.5,-16.91,;29.04,-16.91,;26.74,-15.58,;25.2,-15.57,)| Show InChI InChI=1S/C32H20ClF4N3O3/c33-20-5-10-23-26(13-20)39-30(32(41)42)27(23)31-29(19-3-6-21(34)7-4-19)38-16-40(31)14-17-1-8-22(9-2-17)43-15-18-11-24(35)28(37)25(36)12-18/h1-13,16,39H,14-15H2,(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.71E+3 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.91E+3 | 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 MDMx (1 to 134 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)) | BDBM50266894
(CHEMBL4066410)Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(F)c(F)c1)-c1ccc(F)cc1 |(17.08,-19.16,;17.85,-17.83,;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,;20.71,-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/C27H19ClF3N3O2/c1-2-36-27(35)25-23(19-9-6-17(28)12-22(19)33-25)26-24(16-4-7-18(29)8-5-16)32-14-34(26)13-15-3-10-20(30)21(31)11-15/h3-12,14,33H,2,13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.02E+3 | 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 | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50266902
(CHEMBL4104786)Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)-c1ccc(F)cc1 |(20.17,-21.62,;20.94,-20.3,;20.17,-18.95,;22.48,-20.3,;23.38,-21.55,;24.85,-21.05,;26.19,-21.82,;27.53,-21.05,;28.85,-21.82,;27.52,-19.51,;26.19,-18.74,;24.85,-19.52,;23.38,-19.04,;22.9,-17.58,;23.81,-16.34,;22.91,-15.09,;21.44,-15.57,;21.44,-17.11,;20.19,-18.02,;18.79,-17.39,;18.63,-15.87,;17.22,-15.24,;15.97,-16.14,;14.57,-15.52,;13.32,-16.43,;11.91,-15.8,;10.68,-16.71,;9.27,-16.09,;9.1,-14.55,;7.69,-13.93,;10.35,-13.64,;10.19,-12.11,;11.76,-14.27,;16.14,-17.68,;17.54,-18.3,;25.35,-16.34,;26.11,-17.68,;27.65,-17.68,;28.43,-16.35,;29.97,-16.35,;27.66,-15.02,;26.12,-15.01,)| Show InChI InChI=1S/C32H21Cl3FN3O3/c33-21-6-11-24-27(14-21)38-30(32(40)41)28(24)31-29(20-4-7-22(36)8-5-20)37-17-39(31)15-18-1-9-23(10-2-18)42-16-19-3-12-25(34)26(35)13-19/h1-14,17,38H,15-16H2,(H,40,41) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.76E+3 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.75E+3 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24E+4 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.47E+4 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 2.63E+4 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50266881
(CHEMBL4094325)Show SMILES CCN(CC)CCNC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.1,-21.32,;15.64,-21.32,;16.41,-22.65,;15.64,-23.99,;16.41,-25.32,;17.95,-22.65,;18.71,-21.32,;20.25,-21.32,;21.02,-19.99,;20.25,-18.65,;22.56,-19.99,;23.47,-21.23,;24.93,-20.76,;26.27,-21.53,;27.6,-20.76,;28.94,-21.53,;27.6,-19.22,;26.27,-18.45,;24.93,-19.22,;23.47,-18.74,;22.99,-17.27,;23.89,-16.02,;22.99,-14.78,;21.53,-15.25,;21.53,-16.79,;20.28,-17.71,;18.87,-17.08,;17.63,-17.98,;16.22,-17.36,;16.06,-15.82,;14.66,-15.2,;17.31,-14.92,;18.72,-15.54,;25.43,-16.02,;26.2,-14.69,;27.74,-14.69,;28.51,-16.02,;30.05,-16.02,;27.74,-17.36,;26.2,-17.36,)| Show InChI InChI=1S/C31H30Cl2FN5O/c1-3-38(4-2)16-15-35-31(40)29-27(25-14-11-23(33)17-26(25)37-29)30-28(21-7-12-24(34)13-8-21)36-19-39(30)18-20-5-9-22(32)10-6-20/h5-14,17,19,37H,3-4,15-16,18H2,1-2H3,(H,35,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.74E+4 | 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 MDMx (1 to 134 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)) | BDBM50266899
(CHEMBL4102063)Show SMILES Fc1ccc(cc1)-c1ncn(Cc2ccc(Cl)cc2)c1-c1c([nH]c2cc(Cl)ccc12)C(=O)Nc1ccc(cc1)N1CCOCC1 |(28.53,-12.05,;26.99,-12.05,;26.22,-10.71,;24.68,-10.71,;23.91,-12.05,;24.68,-13.39,;26.22,-13.39,;22.37,-12.05,;21.47,-10.81,;20.01,-11.28,;20.01,-12.82,;18.76,-13.73,;17.35,-13.1,;16.1,-14.01,;14.7,-13.38,;14.54,-11.85,;13.13,-11.22,;15.79,-10.95,;17.19,-11.57,;21.47,-13.29,;21.95,-14.77,;21.04,-16.01,;21.95,-17.26,;23.41,-16.78,;24.74,-17.55,;26.08,-16.78,;27.42,-17.55,;26.08,-15.24,;24.74,-14.47,;23.41,-15.24,;19.5,-16.01,;18.73,-14.67,;18.73,-17.34,;17.19,-17.34,;16.42,-18.68,;14.88,-18.68,;14.12,-17.34,;14.88,-16.01,;16.42,-16.01,;12.58,-17.34,;11.81,-18.68,;10.27,-18.68,;9.5,-17.34,;10.27,-16.01,;11.81,-16.01,)| Show InChI InChI=1S/C35H28Cl2FN5O2/c36-24-5-1-22(2-6-24)20-43-21-39-32(23-3-8-26(38)9-4-23)34(43)31-29-14-7-25(37)19-30(29)41-33(31)35(44)40-27-10-12-28(13-11-27)42-15-17-45-18-16-42/h1-14,19,21,41H,15-18,20H2,(H,40,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+4 | 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.96E+4 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.53E+4 | 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 MDMx (1 to 134 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 | |
Protein Mdm4
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.02E+4 | 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 MDMx (1 to 134 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 | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239948
(CHEMBL4071326 | US9850225, Example 1166)Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ... |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239946
(CHEMBL4084368)Show SMILES Cc1cc(CN[C@H](CO)C(O)=O)c(OCc2cccc(c2)C#N)cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ... |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239942
(CHEMBL4081869 | US9872852, Example 37)Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCNC(C)=O Show InChI InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ... |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239944
(CHEMBL4061613 | US9872852, Example 241)Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@@H](CO)C(C)C |r| Show InChI InChI=1S/C28H35NO4/c1-19(2)26(17-30)29-16-25-27(31-4)14-23(15-28(25)32-5)33-18-22-12-9-13-24(20(22)3)21-10-7-6-8-11-21/h6-15,19,26,29-30H,16-18H2,1-5H3/t26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ... |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239947
(CHEMBL4089730 | US20230303494, Compound BMS202 | U...)Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ... |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239945
(CHEMBL4062686 | US9872852, Example 200)Show SMILES Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C27H27F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,20,30-31H,7-8,11,13-15H2,1H3,(H,32,33)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ... |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239943
(CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ... |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239942
(CHEMBL4081869 | US9872852, Example 37)Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCNC(C)=O Show InChI InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to 15N-labeled human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21(DE3) by 1H-15N 2D HMQC NMR spectroscopic analysis |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239945
(CHEMBL4062686 | US9872852, Example 200)Show SMILES Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C27H27F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,20,30-31H,7-8,11,13-15H2,1H3,(H,32,33)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to 15N-labeled human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21(DE3) by 1H-15N 2D HMQC NMR spectroscopic analysis |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP |
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
| n/a | n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal domain of human 15N-labeled MDM2 expressed in Escherichia coli BL21 (DE3) by HSQC method |
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 | |
Search and Browse
