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)) | BDBM50392242
(CHEMBL2153473)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:95.100,88.92,62.72,49.54,25.30,8.12,101.104,wD:93.97,74.88,57.58,34.46,16.21,4.4,(33.04,-24.32,;33.04,-25.86,;34.37,-26.63,;31.7,-26.65,;31.7,-28.19,;30.37,-28.96,;29.03,-28.19,;29.03,-26.65,;27.7,-28.96,;27.71,-30.5,;29.04,-31.27,;29.04,-32.81,;30.37,-30.5,;26.36,-28.18,;25.03,-28.96,;25.04,-30.5,;23.7,-28.19,;23.7,-26.65,;25.04,-25.87,;25.04,-24.33,;26.37,-23.57,;26.36,-22,;22.37,-28.96,;21.03,-28.19,;21.03,-26.65,;19.7,-28.96,;19.7,-30.5,;21.03,-31.26,;21.03,-32.8,;19.7,-33.58,;22.37,-33.58,;18.36,-28.19,;17.02,-28.96,;17.02,-30.5,;15.69,-28.19,;15.69,-26.65,;17.02,-25.88,;17.02,-24.34,;18.36,-23.57,;19.69,-24.33,;19.69,-25.87,;18.36,-26.65,;21.02,-23.55,;22.36,-24.32,;21.02,-22.01,;22.35,-22.77,;14.36,-28.96,;13.02,-28.19,;13.03,-26.65,;11.68,-28.96,;11.69,-30.5,;13.03,-31.27,;14.36,-30.5,;13.03,-32.81,;10.35,-28.19,;9.02,-28.96,;9.02,-30.5,;7.68,-28.19,;7.68,-26.65,;6.35,-28.96,;5.02,-28.19,;5.02,-26.65,;3.68,-28.96,;3.68,-30.5,;5.02,-31.27,;6.35,-30.5,;7.68,-31.28,;7.68,-32.82,;9.02,-33.58,;6.35,-33.58,;5.02,-32.82,;2.34,-28.19,;1.01,-28.96,;1.01,-30.5,;-.32,-28.19,;-.32,-26.65,;1.02,-25.88,;2.42,-26.5,;3.45,-25.36,;2.67,-24.02,;3.15,-22.55,;2.12,-21.41,;.61,-21.74,;.14,-23.2,;1.17,-24.35,;-1.66,-28.96,;-2.99,-28.19,;-2.99,-26.65,;-4.33,-28.97,;-4.32,-30.51,;-5.65,-28.19,;-6.99,-28.97,;-6.99,-30.5,;-8.33,-28.19,;-9.66,-28.97,;-8.33,-26.65,;-9.66,-25.89,;-7,-25.89,;33.04,-28.96,;33.04,-30.5,;34.38,-28.18,;35.71,-28.95,;35.71,-30.5,;37.04,-31.26,;37.04,-32.79,;38.38,-33.57,;38.38,-35.11,;37.05,-35.89,;39.72,-35.89,;37.05,-28.19,;38.38,-28.96,;37.04,-26.64,)| Show InChI InChI=1S/C73H105F3N18O18/c1-36(2)29-51(65(105)88-50(71(111)112)16-12-28-82-72(80)81)92-66(106)52(30-37(3)4)91-62(102)48(15-10-11-27-77)86-63(103)49(25-26-58(98)99)87-67(107)54(31-41-17-21-44(22-18-41)73(74,75)76)94-69(109)56(34-57(78)97)90-60(100)38(5)84-64(104)53(32-42-19-23-45(96)24-20-42)93-68(108)55(33-43-35-83-47-14-9-8-13-46(43)47)89-61(101)39(6)85-70(110)59(79)40(7)95/h8-9,13-14,17-24,35-40,48-56,59,83,95-96H,10-12,15-16,25-34,77,79H2,1-7H3,(H2,78,97)(H,84,104)(H,85,110)(H,86,103)(H,87,107)(H,88,105)(H,89,101)(H,90,100)(H,91,102)(H,92,106)(H,93,108)(H,94,109)(H,98,99)(H,111,112)(H4,80,81,82)/t38-,39-,40-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-/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 | 0.450 | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by... |
J Med Chem 55: 6237-41 (2012)
Article DOI: 10.1021/jm3005465 BindingDB Entry DOI: 10.7270/Q20P1143 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50392244
(CHEMBL2153475)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:38.43,22.30,8.8,90.95,wD:81.87,67.83,53.67,46.46,33.34,13.18,4.4,98.103,(32.98,-24.45,;32.95,-26.01,;34.25,-26.8,;31.61,-26.75,;31.58,-28.3,;30.23,-29.05,;28.92,-28.27,;28.95,-26.71,;27.56,-29.01,;27.53,-30.54,;26.25,-28.23,;24.9,-28.98,;24.86,-30.5,;23.59,-28.19,;23.62,-26.64,;24.96,-25.91,;24.98,-24.35,;23.65,-23.55,;26.31,-23.61,;22.23,-28.94,;20.92,-28.16,;20.96,-26.6,;19.57,-28.9,;19.53,-30.43,;20.86,-31.24,;22.22,-30.47,;23.54,-31.25,;23.52,-32.79,;22.17,-33.55,;20.85,-32.75,;18.26,-28.12,;16.9,-28.87,;16.87,-30.39,;15.59,-28.08,;15.63,-26.53,;14.24,-28.83,;12.93,-28.05,;12.96,-26.49,;11.57,-28.79,;11.55,-30.32,;12.87,-31.13,;12.84,-32.64,;14.23,-30.37,;10.26,-28,;8.91,-28.74,;8.88,-30.28,;7.6,-27.95,;7.7,-26.41,;6.06,-26.05,;5.21,-27.5,;6.32,-28.76,;6.1,-30.28,;7.31,-31.24,;4.68,-30.86,;3.47,-29.91,;2.04,-30.48,;.73,-29.66,;-.45,-30.64,;.12,-32.07,;-.56,-33.45,;.3,-34.73,;1.84,-34.63,;2.51,-33.24,;1.66,-31.97,;4.46,-32.38,;5.67,-33.33,;7.09,-32.76,;5.45,-34.86,;4.02,-35.43,;3.8,-36.95,;4.9,-38.02,;4.22,-39.4,;2.7,-39.18,;1.51,-40.17,;.07,-39.64,;-.19,-38.12,;.99,-37.14,;2.44,-37.67,;6.66,-35.81,;8.08,-35.24,;8.3,-33.71,;9.29,-36.19,;10.72,-35.61,;9.07,-37.71,;7.65,-38.28,;6.44,-37.33,;7.43,-39.81,;32.89,-29.09,;32.86,-30.61,;34.25,-28.34,;35.56,-29.12,;35.52,-30.65,;36.85,-31.45,;36.83,-32.97,;38.21,-30.7,;36.91,-28.38,;36.94,-26.82,;38.22,-29.16,;39.58,-28.41,;39.61,-26.86,;40.95,-26.12,;40.97,-24.56,;42.31,-23.83,;42.34,-22.28,;41.01,-21.47,;43.67,-21.54,;40.89,-29.2,;42.24,-28.45,;40.85,-30.72,)| Show InChI InChI=1S/C75H105N17O17/c1-39(2)30-54(90-72(106)60-25-17-29-92(60)73(107)59(35-46-38-81-51-23-15-13-21-48(46)51)91-71(105)58(88-65(99)49(76)36-62(95)96)34-45-37-80-50-22-14-12-20-47(45)50)67(101)83-43(8)64(98)87-57(33-44-18-10-9-11-19-44)70(104)84-52(26-27-61(93)94)66(100)82-42(7)63(97)86-55(31-40(3)4)69(103)89-56(32-41(5)6)68(102)85-53(74(108)109)24-16-28-79-75(77)78/h9-15,18-23,37-43,49,52-60,80-81H,16-17,24-36,76H2,1-8H3,(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,97)(H,87,98)(H,88,99)(H,89,103)(H,90,106)(H,91,105)(H,93,94)(H,95,96)(H,108,109)(H4,77,78,79)/t42-,43-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-/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 | 53 | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by... |
J Med Chem 55: 6237-41 (2012)
Article DOI: 10.1021/jm3005465 BindingDB Entry DOI: 10.7270/Q20P1143 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50392243
(CHEMBL2153474)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:88.93,81.85,54.64,41.46,17.22,4.4,102.105,wD:86.90,66.81,49.50,26.38,8.13,94.97,(29.11,-49.65,;29.11,-48.11,;30.44,-47.34,;27.78,-47.34,;27.77,-45.8,;26.43,-45.03,;25.1,-45.8,;25.11,-47.34,;23.77,-45.03,;23.77,-43.49,;25.11,-42.71,;25.11,-41.17,;26.44,-40.41,;26.43,-38.84,;22.44,-45.8,;21.1,-45.03,;21.1,-43.49,;19.77,-45.8,;19.77,-47.34,;21.1,-48.1,;21.1,-49.64,;19.77,-50.42,;22.44,-50.42,;18.43,-45.03,;17.09,-45.8,;17.09,-47.34,;15.76,-45.03,;15.76,-43.49,;17.09,-42.72,;17.09,-41.18,;18.43,-40.41,;19.76,-41.17,;19.76,-42.71,;18.43,-43.49,;21.09,-40.39,;22.43,-41.16,;21.09,-38.85,;22.42,-39.61,;14.43,-45.8,;13.09,-45.03,;13.1,-43.49,;11.75,-45.8,;11.76,-47.34,;13.1,-48.11,;14.43,-47.34,;13.1,-49.65,;10.42,-45.03,;9.09,-45.8,;9.09,-47.35,;7.75,-45.03,;7.75,-43.49,;6.42,-45.8,;5.09,-45.03,;5.09,-43.49,;3.75,-45.81,;3.75,-47.34,;5.09,-48.11,;6.42,-47.34,;7.75,-48.12,;7.75,-49.66,;9.09,-50.42,;6.42,-50.42,;5.09,-49.66,;2.41,-45.03,;1.08,-45.8,;1.08,-47.34,;-.25,-45.03,;-.25,-43.49,;1.09,-42.72,;2.49,-43.35,;3.52,-42.2,;2.74,-40.86,;3.22,-39.39,;2.19,-38.25,;2.67,-36.78,;.68,-38.58,;.21,-40.04,;1.24,-41.19,;-1.59,-45.8,;-2.92,-45.03,;-2.92,-43.5,;-4.26,-45.81,;-4.25,-47.35,;-5.58,-45.03,;-6.92,-45.81,;-6.92,-47.35,;-8.26,-45.03,;-9.59,-45.81,;-8.26,-43.49,;-9.59,-42.73,;-6.93,-42.73,;29.1,-45.03,;29.1,-43.49,;30.44,-45.8,;31.77,-45.03,;31.77,-43.49,;33.11,-42.7,;33.11,-41.16,;34.44,-43.47,;33.11,-45.8,;33.11,-47.34,;34.45,-45.02,;35.78,-45.79,;35.78,-47.34,;37.11,-48.1,;37.11,-49.63,;38.45,-50.42,;38.45,-51.95,;37.12,-52.73,;39.79,-52.73,;37.12,-45.03,;38.45,-45.8,;37.11,-43.49,)| Show InChI InChI=1S/C73H104F4N18O18/c1-35(2)27-51(65(106)89-49(71(112)113)12-10-26-83-72(81)82)93-66(107)52(28-36(3)4)92-62(103)47(11-8-9-25-78)87-63(104)48(23-24-58(99)100)88-67(108)54(29-40-13-17-43(18-14-40)73(75,76)77)95-69(110)56(33-57(79)98)91-60(101)37(5)85-64(105)53(30-41-15-20-45(97)21-16-41)94-68(109)55(31-42-34-84-50-32-44(74)19-22-46(42)50)90-61(102)38(6)86-70(111)59(80)39(7)96/h13-22,32,34-39,47-49,51-56,59,84,96-97H,8-12,23-31,33,78,80H2,1-7H3,(H2,79,98)(H,85,105)(H,86,111)(H,87,104)(H,88,108)(H,89,106)(H,90,102)(H,91,101)(H,92,103)(H,93,107)(H,94,109)(H,95,110)(H,99,100)(H,112,113)(H4,81,82,83)/t37-,38-,39-,47-,48-,49-,51-,52-,53-,54-,55-,56-,59-/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 | 0.220 | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by... |
J Med Chem 55: 6237-41 (2012)
Article DOI: 10.1021/jm3005465 BindingDB Entry DOI: 10.7270/Q20P1143 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50392241
(CHEMBL2153361)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:84.89,77.81,50.60,37.42,17.22,4.4,98.101,wD:82.86,62.77,45.46,26.34,8.13,90.93,(30.19,-17.41,;30.2,-15.86,;31.53,-15.1,;28.87,-15.09,;28.86,-13.55,;27.52,-12.78,;26.19,-13.56,;26.2,-15.1,;24.85,-12.79,;24.85,-11.25,;26.19,-10.46,;26.19,-8.92,;27.53,-8.17,;27.52,-6.6,;23.53,-13.56,;22.19,-12.78,;22.19,-11.24,;20.86,-13.56,;20.86,-15.1,;22.19,-15.86,;22.19,-17.4,;20.86,-18.17,;23.53,-18.18,;19.52,-12.79,;18.18,-13.56,;18.18,-15.1,;16.85,-12.79,;16.85,-11.25,;18.18,-10.47,;19.52,-11.25,;20.85,-10.46,;20.85,-8.92,;19.52,-8.17,;18.18,-8.94,;15.52,-13.56,;14.18,-12.79,;14.18,-11.25,;12.84,-13.56,;12.85,-15.1,;14.19,-15.86,;15.52,-15.1,;14.18,-17.41,;11.51,-12.79,;10.17,-13.56,;10.18,-15.1,;8.84,-12.79,;8.84,-11.25,;7.51,-13.56,;6.18,-12.79,;6.18,-11.25,;4.84,-13.56,;4.84,-15.1,;6.18,-15.87,;7.51,-15.1,;8.84,-15.88,;8.84,-17.42,;10.18,-18.18,;7.51,-18.18,;6.18,-17.41,;3.5,-12.79,;2.17,-13.56,;2.17,-15.1,;.84,-12.79,;.84,-11.25,;2.17,-10.48,;3.58,-11.1,;4.61,-9.96,;3.83,-8.62,;4.31,-7.15,;3.28,-6,;3.75,-4.54,;1.77,-6.33,;1.3,-7.8,;2.33,-8.95,;-.5,-13.56,;-1.84,-12.79,;-1.83,-11.25,;-3.17,-13.56,;-3.16,-15.11,;-4.5,-12.79,;-5.83,-13.56,;-5.83,-15.1,;-7.17,-12.79,;-8.5,-13.57,;-7.17,-11.25,;-8.5,-10.49,;-5.84,-10.49,;30.19,-12.79,;30.19,-11.25,;31.53,-13.56,;32.86,-12.78,;32.86,-11.24,;34.2,-10.46,;34.2,-8.92,;35.53,-11.23,;34.2,-13.55,;34.2,-15.09,;35.54,-12.77,;36.87,-13.54,;36.87,-15.1,;38.2,-15.85,;38.2,-17.39,;39.54,-18.17,;39.54,-19.71,;38.21,-20.48,;40.88,-20.48,;38.21,-12.78,;39.54,-13.55,;38.19,-11.24,)| Show InChI InChI=1S/C72H105FN18O18/c1-36(2)28-51(65(102)85-49(71(108)109)17-13-27-79-72(77)78)89-66(103)52(29-37(3)4)88-62(99)47(16-11-12-26-74)83-63(100)48(24-25-58(95)96)84-67(104)54(30-41-14-9-8-10-15-41)91-69(106)56(34-57(75)94)87-60(97)38(5)81-64(101)53(31-42-18-21-45(93)22-19-42)90-68(105)55(32-43-35-80-50-33-44(73)20-23-46(43)50)86-61(98)39(6)82-70(107)59(76)40(7)92/h8-10,14-15,18-23,33,35-40,47-49,51-56,59,80,92-93H,11-13,16-17,24-32,34,74,76H2,1-7H3,(H2,75,94)(H,81,101)(H,82,107)(H,83,100)(H,84,104)(H,85,102)(H,86,98)(H,87,97)(H,88,99)(H,89,103)(H,90,105)(H,91,106)(H,95,96)(H,108,109)(H4,77,78,79)/t38-,39-,40-,47-,48-,49-,51-,52-,53-,54-,55-,56-,59-/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 | 14 | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by... |
J Med Chem 55: 6237-41 (2012)
Article DOI: 10.1021/jm3005465 BindingDB Entry DOI: 10.7270/Q20P1143 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50392240
(CHEMBL2153360)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:91.96,84.88,58.68,45.50,25.30,8.12,97.100,wD:89.93,70.84,53.54,34.42,16.21,4.4,(32.72,5.46,;32.72,3.92,;34.05,3.15,;31.38,3.14,;31.38,1.6,;30.05,.83,;28.71,1.6,;28.72,3.14,;27.38,.83,;27.39,-.71,;28.72,-1.48,;28.72,-3.03,;30.05,-.71,;26.05,1.6,;24.71,.83,;24.72,-.71,;23.38,1.6,;23.38,3.14,;24.72,3.92,;24.72,5.46,;26.05,6.22,;26.04,7.8,;22.05,.82,;20.71,1.6,;20.71,3.14,;19.38,.83,;19.38,-.71,;20.71,-1.48,;20.72,-3.02,;19.38,-3.79,;22.05,-3.79,;18.04,1.6,;16.7,.82,;16.7,-.72,;15.37,1.59,;15.37,3.13,;16.7,3.91,;18.04,3.14,;19.37,3.92,;19.37,5.46,;18.04,6.22,;16.7,5.45,;14.04,.83,;12.71,1.6,;12.71,3.14,;11.37,.82,;11.37,-.72,;12.71,-1.48,;14.04,-.71,;12.71,-3.03,;10.04,1.6,;8.7,.82,;8.7,-.72,;7.36,1.59,;7.36,3.14,;6.03,.82,;4.7,1.59,;4.7,3.14,;3.36,.82,;3.36,-.72,;4.7,-1.48,;6.03,-.72,;7.36,-1.49,;7.36,-3.03,;8.7,-3.8,;6.04,-3.8,;4.7,-3.03,;2.03,1.59,;.69,.82,;.69,-.72,;-.64,1.59,;-.63,3.13,;.7,3.91,;2.1,3.28,;3.13,4.42,;2.35,5.76,;2.83,7.23,;1.8,8.38,;.3,8.06,;-.18,6.58,;.85,5.44,;-1.97,.82,;-3.31,1.59,;-3.31,3.13,;-4.64,.82,;-4.64,-.72,;-5.97,1.6,;-7.31,.82,;-7.31,-.72,;-8.65,1.59,;-9.98,.82,;-8.65,3.13,;-9.98,3.9,;-7.32,3.9,;32.72,.83,;32.72,-.71,;34.06,1.61,;35.39,.84,;35.39,-.71,;36.72,-1.47,;36.72,-3.01,;38.06,-3.79,;38.06,-5.33,;36.73,-6.1,;39.4,-6.1,;36.73,1.6,;38.06,.83,;36.72,3.14,)| Show InChI InChI=1S/C72H106N18O18/c1-37(2)30-51(65(101)84-50(71(107)108)21-15-29-78-72(76)77)88-66(102)52(31-38(3)4)87-62(98)48(20-13-14-28-73)82-63(99)49(26-27-58(94)95)83-67(103)54(32-42-16-9-8-10-17-42)90-69(105)56(35-57(74)93)86-60(96)39(5)80-64(100)53(33-43-22-24-45(92)25-23-43)89-68(104)55(34-44-36-79-47-19-12-11-18-46(44)47)85-61(97)40(6)81-70(106)59(75)41(7)91/h8-12,16-19,22-25,36-41,48-56,59,79,91-92H,13-15,20-21,26-35,73,75H2,1-7H3,(H2,74,93)(H,80,100)(H,81,106)(H,82,99)(H,83,103)(H,84,101)(H,85,97)(H,86,96)(H,87,98)(H,88,102)(H,89,104)(H,90,105)(H,94,95)(H,107,108)(H4,76,77,78)/t39-,40-,41-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-/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 | 37.8 | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by... |
J Med Chem 55: 6237-41 (2012)
Article DOI: 10.1021/jm3005465 BindingDB Entry DOI: 10.7270/Q20P1143 |
More data for this Ligand-Target Pair | |