Found 5 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50436123
(L-STINGIN)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:17.17,79.81,67.72,58.59,43.43,35.35,106.110,120.126,4.4,134.140,143.149,wD:25.25,13.13,74.76,54.90,88.92,31.31,94.97,8.7,(32.63,-3.94,;32.63,-5.48,;31.3,-6.25,;33.95,-6.25,;33.95,-7.79,;32.63,-8.56,;32.63,-10.1,;33.95,-10.87,;31.3,-10.87,;31.3,-12.41,;32.63,-13.18,;19.28,-22.44,;19.26,-23.98,;17.93,-24.73,;17.9,-26.27,;16.56,-27.02,;15.24,-26.23,;16.55,-28.56,;15.2,-29.31,;13.88,-28.52,;12.53,-29.28,;13.9,-26.99,;17.87,-29.35,;19.21,-28.6,;19.23,-27.06,;20.53,-29.38,;20.52,-30.92,;21.87,-28.62,;21.89,-27.08,;17.96,-10.87,;19.31,-10.1,;19.31,-8.56,;17.96,-7.79,;16.63,-8.56,;16.63,-10.1,;15.3,-7.79,;15.3,-6.25,;16.63,-5.48,;17.96,-6.25,;16.63,-3.94,;13.97,-8.56,;13.97,-10.1,;15.3,-10.87,;12.63,-10.87,;11.3,-10.1,;11.3,-8.56,;12.63,-7.8,;12.62,-6.25,;11.29,-5.48,;9.96,-6.25,;9.96,-7.79,;12.63,-12.41,;11.3,-13.18,;9.97,-12.41,;11.3,-14.72,;9.97,-15.49,;8.64,-14.72,;8.64,-13.18,;7.3,-15.49,;5.97,-14.72,;4.64,-15.49,;4.64,-17.02,;5.97,-17.79,;3.31,-17.79,;7.3,-17.02,;8.64,-17.79,;9.97,-17.02,;8.64,-19.33,;7.25,-20.05,;7.77,-21.64,;9.46,-21.62,;9.99,-20.02,;11.32,-19.27,;11.34,-17.73,;12.64,-20.05,;13.99,-19.29,;12.63,-21.59,;13.95,-22.37,;15.29,-21.62,;13.93,-23.91,;12.58,-24.66,;12.58,-26.2,;11.24,-26.97,;11.21,-28.51,;9.88,-29.26,;15.26,-24.7,;16.6,-23.94,;16.62,-22.41,;12.63,-15.49,;12.63,-17.02,;13.97,-14.72,;20.63,-7.79,;20.63,-6.25,;21.96,-8.56,;21.96,-10.1,;20.63,-10.87,;20.63,-12.41,;21.98,-13.18,;21.98,-14.73,;20.66,-15.5,;20.66,-17.03,;19.31,-14.73,;19.31,-13.18,;23.29,-10.87,;23.29,-12.41,;24.63,-10.1,;24.63,-8.56,;23.29,-7.79,;23.21,-5.8,;22.01,-5,;22.35,-3.5,;23.89,-3.36,;24.8,-2.13,;26.33,-2.32,;26.93,-3.74,;26.02,-4.96,;24.49,-4.78,;25.96,-7.79,;25.96,-6.25,;27.29,-8.56,;28.63,-7.79,;28.63,-6.25,;29.97,-5.48,;29.97,-3.94,;31.3,-3.17,;31.3,-1.64,;32.63,-.87,;29.97,-.87,;29.97,-8.56,;31.3,-7.79,;29.97,-10.1,;35.29,-8.56,;35.29,-10.1,;36.62,-7.79,;37.96,-8.56,;39.29,-7.79,;39.29,-6.25,;37.96,-5.48,;37.96,-3.94,;36.62,-6.25,;37.96,-10.1,;39.29,-10.87,;36.62,-10.87,;36.62,-12.41,;37.96,-13.18,;37.96,-14.72,;36.71,-15.63,;37.18,-17.08,;38.73,-17.09,;39.21,-15.63,;35.29,-13.18,;35.29,-14.72,;33.95,-12.41,)| Show InChI InChI=1S/C97H139N27O25S4/c1-48(2)34-64(84(136)111-62(27-29-75(100)127)82(134)119-70(96(148)149)39-55-42-104-47-107-55)115-91(143)72-46-153-152-45-71-90(142)110-60(20-12-13-31-98)80(132)108-50(5)95(147)124-33-15-22-74(124)93(145)112-63(28-30-77(129)130)83(135)123-78(51(6)125)94(146)118-67(36-52-16-8-7-9-17-52)87(139)114-65(35-49(3)4)85(137)121-73(44-151-150-43-58(99)79(131)113-69(40-76(101)128)89(141)122-71)92(144)116-66(37-53-23-25-56(126)26-24-53)86(138)117-68(38-54-41-106-59-19-11-10-18-57(54)59)88(140)109-61(81(133)120-72)21-14-32-105-97(102)103/h7-11,16-19,23-26,41-42,47-51,58,60-74,78,106,125-126H,12-15,20-22,27-40,43-46,98-99H2,1-6H3,(H2,100,127)(H2,101,128)(H,104,107)(H,108,132)(H,109,140)(H,110,142)(H,111,136)(H,112,145)(H,113,131)(H,114,139)(H,115,143)(H,116,144)(H,117,138)(H,118,146)(H,119,134)(H,120,133)(H,121,137)(H,122,141)(H,123,135)(H,129,130)(H,148,149)(H4,102,103,105)/t50-,51+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1 | 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 | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
Southwest University
Curated by ChEMBL
| Assay Description
Inhibition of TMRA-p53 binding to MDM2 (25 to 109 amino acids) (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 21: 4045-50 (2013)
Article DOI: 10.1016/j.bmc.2013.04.039
BindingDB Entry DOI: 10.7270/Q2TM7CH6 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50436122
(CHEMBL2397471)Show SMILES CC(C)C[C@@H](NC(=O)[C@H]1CSSC[C@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H]3CCCN3C(=O)[C@@H](C)NC(=O)[C@@H](CCCCN)NC2=O)[C@H](C)O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(O)=O |r,wU:25.25,13.13,74.76,54.90,88.92,31.31,94.97,8.7,wD:17.17,79.81,67.72,58.59,43.43,35.35,106.110,120.126,4.4,134.140,143.149,(33.91,-36.23,;33.91,-37.77,;32.58,-38.54,;35.24,-38.54,;35.24,-40.08,;33.91,-40.85,;33.91,-42.39,;35.24,-43.16,;32.58,-43.16,;32.58,-44.7,;33.91,-45.47,;20.57,-54.73,;20.55,-56.27,;19.21,-57.02,;19.19,-58.56,;17.84,-59.31,;16.53,-58.52,;17.83,-60.85,;16.49,-61.6,;15.17,-60.81,;13.82,-61.56,;15.19,-59.27,;19.15,-61.64,;20.49,-60.89,;20.51,-59.35,;21.82,-61.66,;21.81,-63.2,;23.16,-60.91,;23.18,-59.37,;19.25,-43.16,;20.59,-42.39,;20.59,-40.85,;19.25,-40.08,;17.91,-40.85,;17.91,-42.39,;16.58,-40.08,;16.58,-38.54,;17.91,-37.77,;19.25,-38.54,;17.91,-36.23,;15.26,-40.85,;15.26,-42.39,;16.58,-43.16,;13.92,-43.16,;12.59,-42.39,;12.59,-40.85,;13.91,-40.09,;13.91,-38.54,;12.58,-37.77,;11.25,-38.54,;11.25,-40.09,;13.92,-44.7,;12.59,-45.47,;11.26,-44.7,;12.59,-47.01,;11.26,-47.78,;9.92,-47.01,;9.92,-45.47,;8.58,-47.78,;7.25,-47.01,;5.93,-47.78,;5.93,-49.31,;7.25,-50.08,;4.6,-50.08,;8.58,-49.31,;9.92,-50.08,;11.26,-49.31,;9.92,-51.62,;8.54,-52.33,;9.05,-53.93,;10.75,-53.9,;11.27,-52.31,;12.61,-51.57,;12.62,-50.03,;13.93,-52.34,;15.28,-51.58,;13.92,-53.87,;15.24,-54.65,;16.57,-53.91,;15.21,-56.19,;13.87,-56.95,;13.86,-58.49,;12.52,-59.26,;12.5,-60.79,;11.17,-61.55,;16.55,-56.98,;17.89,-56.23,;17.9,-54.7,;13.92,-47.78,;13.92,-49.31,;15.26,-47.01,;21.92,-40.08,;21.92,-38.54,;23.25,-40.85,;23.25,-42.39,;21.92,-43.16,;21.92,-44.7,;23.26,-45.48,;23.27,-47.02,;21.94,-47.79,;21.94,-49.32,;20.59,-47.02,;20.59,-45.47,;24.58,-43.16,;24.58,-44.7,;25.92,-42.39,;25.92,-40.85,;24.58,-40.08,;24.49,-38.09,;23.29,-37.29,;23.64,-35.79,;25.17,-35.65,;26.08,-34.42,;27.62,-34.61,;28.21,-36.03,;27.31,-37.24,;25.78,-37.07,;27.24,-40.08,;27.24,-38.54,;28.58,-40.85,;29.92,-40.08,;29.92,-38.54,;31.26,-37.77,;31.26,-36.23,;32.58,-35.46,;32.58,-33.93,;33.91,-33.16,;31.26,-33.16,;31.26,-40.85,;32.58,-40.08,;31.26,-42.39,;36.58,-40.85,;36.58,-42.39,;37.9,-40.08,;39.25,-40.85,;40.58,-40.08,;40.58,-38.54,;39.25,-37.77,;39.25,-36.23,;37.9,-38.54,;39.25,-42.39,;40.58,-43.16,;37.9,-43.16,;37.9,-44.7,;39.25,-45.47,;39.25,-47.01,;37.99,-47.91,;38.47,-49.37,;40.02,-49.37,;40.5,-47.91,;36.58,-45.47,;36.58,-47.01,;35.24,-44.7,)| Show InChI InChI=1S/C97H139N27O25S4/c1-48(2)34-64(84(136)111-62(27-29-75(100)127)82(134)119-70(96(148)149)39-55-42-104-47-107-55)115-91(143)72-46-153-152-45-71-90(142)110-60(20-12-13-31-98)80(132)108-50(5)95(147)124-33-15-22-74(124)93(145)112-63(28-30-77(129)130)83(135)123-78(51(6)125)94(146)118-67(36-52-16-8-7-9-17-52)87(139)114-65(35-49(3)4)85(137)121-73(44-151-150-43-58(99)79(131)113-69(40-76(101)128)89(141)122-71)92(144)116-66(37-53-23-25-56(126)26-24-53)86(138)117-68(38-54-41-106-59-19-11-10-18-57(54)59)88(140)109-61(81(133)120-72)21-14-32-105-97(102)103/h7-11,16-19,23-26,41-42,47-51,58,60-74,78,106,125-126H,12-15,20-22,27-40,43-46,98-99H2,1-6H3,(H2,100,127)(H2,101,128)(H,104,107)(H,108,132)(H,109,140)(H,110,142)(H,111,136)(H,112,145)(H,113,131)(H,114,139)(H,115,143)(H,116,144)(H,117,138)(H,118,146)(H,119,134)(H,120,133)(H,121,137)(H,122,141)(H,123,135)(H,129,130)(H,148,149)(H4,102,103,105)/t50-,51+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southwest University
Curated by ChEMBL
| Assay Description
Inhibition of TMRA-p53 binding to MDM2 (25 to 109 amino acids) (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 21: 4045-50 (2013)
Article DOI: 10.1016/j.bmc.2013.04.039
BindingDB Entry DOI: 10.7270/Q2TM7CH6 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50436123
(L-STINGIN)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:17.17,79.81,67.72,58.59,43.43,35.35,106.110,120.126,4.4,134.140,143.149,wD:25.25,13.13,74.76,54.90,88.92,31.31,94.97,8.7,(32.63,-3.94,;32.63,-5.48,;31.3,-6.25,;33.95,-6.25,;33.95,-7.79,;32.63,-8.56,;32.63,-10.1,;33.95,-10.87,;31.3,-10.87,;31.3,-12.41,;32.63,-13.18,;19.28,-22.44,;19.26,-23.98,;17.93,-24.73,;17.9,-26.27,;16.56,-27.02,;15.24,-26.23,;16.55,-28.56,;15.2,-29.31,;13.88,-28.52,;12.53,-29.28,;13.9,-26.99,;17.87,-29.35,;19.21,-28.6,;19.23,-27.06,;20.53,-29.38,;20.52,-30.92,;21.87,-28.62,;21.89,-27.08,;17.96,-10.87,;19.31,-10.1,;19.31,-8.56,;17.96,-7.79,;16.63,-8.56,;16.63,-10.1,;15.3,-7.79,;15.3,-6.25,;16.63,-5.48,;17.96,-6.25,;16.63,-3.94,;13.97,-8.56,;13.97,-10.1,;15.3,-10.87,;12.63,-10.87,;11.3,-10.1,;11.3,-8.56,;12.63,-7.8,;12.62,-6.25,;11.29,-5.48,;9.96,-6.25,;9.96,-7.79,;12.63,-12.41,;11.3,-13.18,;9.97,-12.41,;11.3,-14.72,;9.97,-15.49,;8.64,-14.72,;8.64,-13.18,;7.3,-15.49,;5.97,-14.72,;4.64,-15.49,;4.64,-17.02,;5.97,-17.79,;3.31,-17.79,;7.3,-17.02,;8.64,-17.79,;9.97,-17.02,;8.64,-19.33,;7.25,-20.05,;7.77,-21.64,;9.46,-21.62,;9.99,-20.02,;11.32,-19.27,;11.34,-17.73,;12.64,-20.05,;13.99,-19.29,;12.63,-21.59,;13.95,-22.37,;15.29,-21.62,;13.93,-23.91,;12.58,-24.66,;12.58,-26.2,;11.24,-26.97,;11.21,-28.51,;9.88,-29.26,;15.26,-24.7,;16.6,-23.94,;16.62,-22.41,;12.63,-15.49,;12.63,-17.02,;13.97,-14.72,;20.63,-7.79,;20.63,-6.25,;21.96,-8.56,;21.96,-10.1,;20.63,-10.87,;20.63,-12.41,;21.98,-13.18,;21.98,-14.73,;20.66,-15.5,;20.66,-17.03,;19.31,-14.73,;19.31,-13.18,;23.29,-10.87,;23.29,-12.41,;24.63,-10.1,;24.63,-8.56,;23.29,-7.79,;23.21,-5.8,;22.01,-5,;22.35,-3.5,;23.89,-3.36,;24.8,-2.13,;26.33,-2.32,;26.93,-3.74,;26.02,-4.96,;24.49,-4.78,;25.96,-7.79,;25.96,-6.25,;27.29,-8.56,;28.63,-7.79,;28.63,-6.25,;29.97,-5.48,;29.97,-3.94,;31.3,-3.17,;31.3,-1.64,;32.63,-.87,;29.97,-.87,;29.97,-8.56,;31.3,-7.79,;29.97,-10.1,;35.29,-8.56,;35.29,-10.1,;36.62,-7.79,;37.96,-8.56,;39.29,-7.79,;39.29,-6.25,;37.96,-5.48,;37.96,-3.94,;36.62,-6.25,;37.96,-10.1,;39.29,-10.87,;36.62,-10.87,;36.62,-12.41,;37.96,-13.18,;37.96,-14.72,;36.71,-15.63,;37.18,-17.08,;38.73,-17.09,;39.21,-15.63,;35.29,-13.18,;35.29,-14.72,;33.95,-12.41,)| Show InChI InChI=1S/C97H139N27O25S4/c1-48(2)34-64(84(136)111-62(27-29-75(100)127)82(134)119-70(96(148)149)39-55-42-104-47-107-55)115-91(143)72-46-153-152-45-71-90(142)110-60(20-12-13-31-98)80(132)108-50(5)95(147)124-33-15-22-74(124)93(145)112-63(28-30-77(129)130)83(135)123-78(51(6)125)94(146)118-67(36-52-16-8-7-9-17-52)87(139)114-65(35-49(3)4)85(137)121-73(44-151-150-43-58(99)79(131)113-69(40-76(101)128)89(141)122-71)92(144)116-66(37-53-23-25-56(126)26-24-53)86(138)117-68(38-54-41-106-59-19-11-10-18-57(54)59)88(140)109-61(81(133)120-72)21-14-32-105-97(102)103/h7-11,16-19,23-26,41-42,47-51,58,60-74,78,106,125-126H,12-15,20-22,27-40,43-46,98-99H2,1-6H3,(H2,100,127)(H2,101,128)(H,104,107)(H,108,132)(H,109,140)(H,110,142)(H,111,136)(H,112,145)(H,113,131)(H,114,139)(H,115,143)(H,116,144)(H,117,138)(H,118,146)(H,119,134)(H,120,133)(H,121,137)(H,122,141)(H,123,135)(H,129,130)(H,148,149)(H4,102,103,105)/t50-,51+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1 | 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 | 25 | n/a | n/a | n/a | n/a | n/a |
Southwest University
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 (25 to 109 amino acids) (unknown origin) after 30 mins by surface plasmon resosnance analysis |
Bioorg Med Chem 21: 4045-50 (2013)
Article DOI: 10.1016/j.bmc.2013.04.039
BindingDB Entry DOI: 10.7270/Q2TM7CH6 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50436122
(CHEMBL2397471)Show SMILES CC(C)C[C@@H](NC(=O)[C@H]1CSSC[C@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H]3CCCN3C(=O)[C@@H](C)NC(=O)[C@@H](CCCCN)NC2=O)[C@H](C)O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(O)=O |r,wU:25.25,13.13,74.76,54.90,88.92,31.31,94.97,8.7,wD:17.17,79.81,67.72,58.59,43.43,35.35,106.110,120.126,4.4,134.140,143.149,(33.91,-36.23,;33.91,-37.77,;32.58,-38.54,;35.24,-38.54,;35.24,-40.08,;33.91,-40.85,;33.91,-42.39,;35.24,-43.16,;32.58,-43.16,;32.58,-44.7,;33.91,-45.47,;20.57,-54.73,;20.55,-56.27,;19.21,-57.02,;19.19,-58.56,;17.84,-59.31,;16.53,-58.52,;17.83,-60.85,;16.49,-61.6,;15.17,-60.81,;13.82,-61.56,;15.19,-59.27,;19.15,-61.64,;20.49,-60.89,;20.51,-59.35,;21.82,-61.66,;21.81,-63.2,;23.16,-60.91,;23.18,-59.37,;19.25,-43.16,;20.59,-42.39,;20.59,-40.85,;19.25,-40.08,;17.91,-40.85,;17.91,-42.39,;16.58,-40.08,;16.58,-38.54,;17.91,-37.77,;19.25,-38.54,;17.91,-36.23,;15.26,-40.85,;15.26,-42.39,;16.58,-43.16,;13.92,-43.16,;12.59,-42.39,;12.59,-40.85,;13.91,-40.09,;13.91,-38.54,;12.58,-37.77,;11.25,-38.54,;11.25,-40.09,;13.92,-44.7,;12.59,-45.47,;11.26,-44.7,;12.59,-47.01,;11.26,-47.78,;9.92,-47.01,;9.92,-45.47,;8.58,-47.78,;7.25,-47.01,;5.93,-47.78,;5.93,-49.31,;7.25,-50.08,;4.6,-50.08,;8.58,-49.31,;9.92,-50.08,;11.26,-49.31,;9.92,-51.62,;8.54,-52.33,;9.05,-53.93,;10.75,-53.9,;11.27,-52.31,;12.61,-51.57,;12.62,-50.03,;13.93,-52.34,;15.28,-51.58,;13.92,-53.87,;15.24,-54.65,;16.57,-53.91,;15.21,-56.19,;13.87,-56.95,;13.86,-58.49,;12.52,-59.26,;12.5,-60.79,;11.17,-61.55,;16.55,-56.98,;17.89,-56.23,;17.9,-54.7,;13.92,-47.78,;13.92,-49.31,;15.26,-47.01,;21.92,-40.08,;21.92,-38.54,;23.25,-40.85,;23.25,-42.39,;21.92,-43.16,;21.92,-44.7,;23.26,-45.48,;23.27,-47.02,;21.94,-47.79,;21.94,-49.32,;20.59,-47.02,;20.59,-45.47,;24.58,-43.16,;24.58,-44.7,;25.92,-42.39,;25.92,-40.85,;24.58,-40.08,;24.49,-38.09,;23.29,-37.29,;23.64,-35.79,;25.17,-35.65,;26.08,-34.42,;27.62,-34.61,;28.21,-36.03,;27.31,-37.24,;25.78,-37.07,;27.24,-40.08,;27.24,-38.54,;28.58,-40.85,;29.92,-40.08,;29.92,-38.54,;31.26,-37.77,;31.26,-36.23,;32.58,-35.46,;32.58,-33.93,;33.91,-33.16,;31.26,-33.16,;31.26,-40.85,;32.58,-40.08,;31.26,-42.39,;36.58,-40.85,;36.58,-42.39,;37.9,-40.08,;39.25,-40.85,;40.58,-40.08,;40.58,-38.54,;39.25,-37.77,;39.25,-36.23,;37.9,-38.54,;39.25,-42.39,;40.58,-43.16,;37.9,-43.16,;37.9,-44.7,;39.25,-45.47,;39.25,-47.01,;37.99,-47.91,;38.47,-49.37,;40.02,-49.37,;40.5,-47.91,;36.58,-45.47,;36.58,-47.01,;35.24,-44.7,)| Show InChI InChI=1S/C97H139N27O25S4/c1-48(2)34-64(84(136)111-62(27-29-75(100)127)82(134)119-70(96(148)149)39-55-42-104-47-107-55)115-91(143)72-46-153-152-45-71-90(142)110-60(20-12-13-31-98)80(132)108-50(5)95(147)124-33-15-22-74(124)93(145)112-63(28-30-77(129)130)83(135)123-78(51(6)125)94(146)118-67(36-52-16-8-7-9-17-52)87(139)114-65(35-49(3)4)85(137)121-73(44-151-150-43-58(99)79(131)113-69(40-76(101)128)89(141)122-71)92(144)116-66(37-53-23-25-56(126)26-24-53)86(138)117-68(38-54-41-106-59-19-11-10-18-57(54)59)88(140)109-61(81(133)120-72)21-14-32-105-97(102)103/h7-11,16-19,23-26,41-42,47-51,58,60-74,78,106,125-126H,12-15,20-22,27-40,43-46,98-99H2,1-6H3,(H2,100,127)(H2,101,128)(H,104,107)(H,108,132)(H,109,140)(H,110,142)(H,111,136)(H,112,145)(H,113,131)(H,114,139)(H,115,143)(H,116,144)(H,117,138)(H,118,146)(H,119,134)(H,120,133)(H,121,137)(H,122,141)(H,123,135)(H,129,130)(H,148,149)(H4,102,103,105)/t50-,51+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.65E+4 | n/a | n/a | n/a | n/a | n/a |
Southwest University
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 (25 to 109 amino acids) (unknown origin) after 30 mins by surface plasmon resosnance analysis |
Bioorg Med Chem 21: 4045-50 (2013)
Article DOI: 10.1016/j.bmc.2013.04.039
BindingDB Entry DOI: 10.7270/Q2TM7CH6 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50436121
(CHEMBL2397473)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]1CSSC[C@H]2NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]3CCCN3C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC2=O)C(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)[C@H](C)O |r,wU:17.17,4.4,125.130,113.117,82.85,71.73,58.60,46.47,37.38,99.102,wD:8.13,28.28,139.146,90.113,67.157,150.159,51.56,33.34,95.110,(13.5,-49.28,;15.04,-49.26,;15.03,-50.78,;15.79,-47.91,;17.32,-47.88,;18.09,-46.54,;17.3,-45.23,;15.75,-45.25,;18.06,-43.88,;19.57,-43.87,;20.38,-45.19,;21.91,-45.17,;22.66,-43.82,;22.69,-46.48,;17.26,-42.56,;18.02,-41.21,;19.54,-41.19,;17.23,-39.9,;17.99,-38.55,;15.68,-39.92,;14.94,-41.25,;15.57,-42.66,;14.46,-43.7,;13.11,-42.94,;13.41,-41.43,;18.13,-49.22,;19.65,-49.19,;17.36,-50.56,;18.16,-51.87,;19.7,-51.85,;20.48,-53.18,;32.81,-61.89,;33.53,-61.31,;34.76,-62.24,;34.56,-63.77,;33.14,-64.35,;31.9,-63.42,;32.94,-65.87,;34.16,-66.82,;35.58,-66.24,;36.8,-67.17,;38.22,-66.58,;39.45,-67.51,;31.51,-66.48,;31.31,-68.01,;32.53,-68.94,;29.88,-68.58,;29.68,-70.11,;29.41,-67.64,;27.24,-68.24,;27.04,-69.77,;26.02,-67.29,;26.31,-65.76,;24.72,-65.22,;23.72,-66.56,;24.66,-67.94,;24.26,-69.43,;25.37,-70.52,;22.78,-69.84,;22.39,-71.3,;20.89,-71.72,;20.5,-73.2,;21.59,-74.28,;19.01,-73.6,;21.7,-68.73,;20.21,-69.14,;19.82,-70.62,;19.12,-68.06,;17.62,-68.45,;16.55,-67.36,;16.94,-65.86,;15.06,-67.75,;14.66,-69.24,;15.74,-70.34,;15.35,-71.82,;16.45,-72.9,;17.94,-72.5,;18.33,-71.02,;17.23,-69.94,;13.96,-66.67,;12.48,-67.07,;12.08,-68.56,;11.39,-65.97,;9.91,-66.38,;9.51,-67.87,;8.02,-68.27,;10.59,-68.95,;11.79,-64.5,;13.28,-64.09,;14.37,-65.18,;13.68,-62.59,;15.16,-62.2,;16.25,-63.29,;37.69,-55.54,;38.41,-54.96,;39.64,-55.9,;39.44,-57.43,;38.01,-58.02,;36.79,-57.07,;37.82,-59.55,;39.04,-60.48,;40.45,-59.89,;41.4,-58.36,;41.67,-60.82,;36.38,-60.12,;36.19,-61.65,;37.41,-62.58,;41.06,-55.31,;42.06,-53.78,;42.28,-56.25,;12.89,-61.28,;11.35,-61.3,;10.59,-62.65,;10.56,-59.98,;9.01,-60,;8.27,-61.35,;6.72,-61.38,;5.98,-62.71,;6.75,-64.02,;6.01,-65.37,;8.3,-64.01,;9.04,-62.66,;11.32,-58.64,;10.52,-57.3,;8.98,-57.33,;11.28,-55.98,;10.49,-54.65,;8.94,-54.68,;8.08,-55.94,;6.6,-55.49,;6.56,-53.96,;5.38,-52.96,;5.68,-51.44,;7.12,-50.93,;8.3,-51.93,;8.01,-53.44,;12.83,-55.96,;13.57,-54.61,;12.79,-53.28,;15.11,-54.59,;15.89,-55.92,;17.44,-55.89,;18.23,-57.21,;19.77,-57.19,;20.56,-58.52,;22.1,-58.5,;19.81,-59.87,;15.86,-53.24,;17.39,-53.22,;18.2,-54.55,;19.51,-66.57,;18.43,-65.47,;21,-66.17,)| Show InChI InChI=1S/C97H139N27O25S4/c1-48(2)34-64-84(136)116-67(36-52-16-8-7-9-17-52)89(141)123-78(51(6)125)94(146)112-63(28-30-77(129)130)95(147)124-33-15-22-74(124)93(145)108-50(5)79(131)109-60(20-12-13-31-98)82(134)119-71-44-151-150-43-70(120-85(137)65(35-49(3)4)113-83(135)62(27-29-75(100)127)110-80(132)58(99)39-55-42-104-47-107-55)90(142)111-61(21-14-32-105-97(102)103)81(133)117-68(38-54-41-106-59-19-11-10-18-57(54)59)87(139)115-66(37-53-23-25-56(126)26-24-53)86(138)121-72(91(143)114-64)45-152-153-46-73(96(148)149)122-88(140)69(40-76(101)128)118-92(71)144/h7-11,16-19,23-26,41-42,47-51,58,60-74,78,106,125-126H,12-15,20-22,27-40,43-46,98-99H2,1-6H3,(H2,100,127)(H2,101,128)(H,104,107)(H,108,145)(H,109,131)(H,110,132)(H,111,142)(H,112,146)(H,113,135)(H,114,143)(H,115,139)(H,116,136)(H,117,133)(H,118,144)(H,119,134)(H,120,137)(H,121,138)(H,122,140)(H,123,141)(H,129,130)(H,148,149)(H4,102,103,105)/t50-,51+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a | n/a |
Southwest University
Curated by ChEMBL
| Assay Description
Binding affinity to MDM2 (25 to 109 amino acids) (unknown origin) after 30 mins by surface plasmon resosnance analysis |
Bioorg Med Chem 21: 4045-50 (2013)
Article DOI: 10.1016/j.bmc.2013.04.039
BindingDB Entry DOI: 10.7270/Q2TM7CH6 |
More data for this
Ligand-Target Pair | |
Search and Browse
