Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50033084 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)) | BDBM50339166
(CHEMBL1689398)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C89H121N23O20/c1-48(2)38-66(98-53(9)115)87(129)108-74(52(8)114)88(130)106-69(40-54-20-12-11-13-21-54)84(126)101-63(24-16-18-36-93-77(119)50(5)6)79(121)105-71(43-57-45-92-47-96-57)86(128)103-68(41-55-26-30-59(116)31-27-55)85(127)104-70(42-56-44-95-62-23-15-14-22-61(56)62)82(124)97-51(7)78(120)99-65(34-35-73(90)117)81(123)102-67(39-49(3)4)83(125)100-64(80(122)107-72(46-113)75(91)118)25-17-19-37-94-89(131)76-109-111-112(110-76)58-28-32-60(132-10)33-29-58/h11-15,20-23,26-33,44-45,47-49,51-52,63-72,74,95,113-114,116H,5,16-19,24-25,34-43,46H2,1-4,6-10H3,(H2,90,117)(H2,91,118)(H,92,96)(H,93,119)(H,94,131)(H,97,124)(H,98,115)(H,99,120)(H,100,125)(H,101,126)(H,102,123)(H,103,128)(H,104,127)(H,105,121)(H,106,130)(H,107,122)(H,108,129)/t51-,52+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-/m0/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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339171
(CHEMBL1689403)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:52.67,32.39,20.22,119.129,104.117,79.91,wD:41.50,24.30,134.139,115.121,128.135,90.105,67.80,(48.16,1.75,;46.63,1.9,;45.73,.66,;46.36,-.75,;45.46,-1.99,;43.93,-1.83,;43.3,-.43,;44.19,.81,;43.03,-3.07,;41.49,-3.08,;41.02,-4.54,;42.27,-5.44,;43.51,-4.54,;42.27,-6.98,;43.6,-7.74,;40.94,-7.75,;40.94,-9.29,;39.61,-10.06,;39.61,-11.59,;38.28,-12.36,;38.28,-13.9,;36.95,-14.67,;35.62,-13.91,;35.62,-12.36,;34.28,-14.68,;34.28,-16.22,;35.62,-16.99,;35.62,-18.53,;36.95,-16.22,;32.94,-13.91,;31.6,-14.68,;31.6,-16.22,;30.27,-13.91,;30.27,-12.37,;31.6,-11.59,;31.6,-10.05,;30.26,-9.28,;32.94,-9.28,;28.93,-14.69,;27.6,-13.91,;27.6,-12.37,;26.26,-14.68,;26.26,-16.22,;27.59,-16.99,;27.59,-18.53,;28.92,-19.3,;28.92,-20.84,;30.25,-21.6,;27.59,-21.6,;24.93,-13.92,;23.59,-14.69,;23.59,-16.23,;22.25,-13.92,;22.25,-12.37,;23.59,-11.61,;25,-12.23,;26.03,-11.08,;25.25,-9.74,;25.73,-8.28,;24.7,-7.14,;25.17,-5.67,;23.19,-7.45,;22.71,-8.92,;23.74,-10.07,;20.92,-14.69,;19.59,-13.92,;19.59,-12.38,;18.25,-14.7,;18.25,-16.24,;19.59,-17.01,;20.92,-16.23,;22.26,-17,;22.26,-18.54,;23.59,-19.31,;20.93,-19.32,;19.59,-18.55,;16.91,-13.93,;15.58,-14.7,;15.58,-16.24,;14.24,-13.93,;14.24,-12.39,;15.57,-11.62,;15.57,-10.08,;16.91,-9.31,;16.91,-7.78,;18.24,-7.01,;15.57,-7.01,;12.91,-14.7,;11.58,-13.94,;11.58,-12.39,;10.24,-14.71,;10.24,-16.24,;8.91,-17.01,;8.91,-18.55,;7.58,-19.32,;7.58,-20.86,;6.25,-21.63,;4.92,-20.86,;6.25,-23.17,;4.92,-23.94,;7.59,-23.93,;8.9,-13.94,;7.56,-14.71,;7.56,-16.25,;6.23,-13.94,;6.23,-12.4,;7.56,-11.62,;8.89,-12.39,;10.23,-11.62,;10.23,-10.07,;8.9,-9.31,;7.56,-10.08,;4.89,-14.72,;3.56,-13.94,;3.56,-12.4,;2.22,-14.71,;.89,-13.94,;-.45,-14.71,;-.45,-16.26,;-1.79,-13.94,;-1.79,-12.4,;-.46,-11.64,;-.46,-10.09,;.88,-12.4,;-3.12,-14.71,;-4.45,-13.95,;-5.79,-14.71,;-4.45,-12.41,;2.22,-16.25,;.89,-17.03,;3.56,-17.02,;39.62,-14.67,;39.62,-16.21,;40.96,-13.9,;42.29,-14.67,;42.29,-16.21,;43.63,-16.98,;43.63,-13.89,;44.96,-14.66,;43.63,-12.35,)| Show InChI InChI=1S/C92H132ClN27O20/c1-49(2)41-68(105-53(8)123)88(137)116-75(52(7)122)89(138)114-71(43-54-19-11-10-12-20-54)85(134)108-62(21-13-15-37-100-78(127)51(5)6)79(128)106-65(24-18-40-103-92(98)99)81(130)112-70(44-55-25-30-59(124)31-26-55)86(135)113-72(45-56-47-104-67-46-57(93)27-34-61(56)67)87(136)109-64(23-17-39-102-91(96)97)80(129)110-66(35-36-74(94)125)83(132)111-69(42-50(3)4)84(133)107-63(82(131)115-73(48-121)76(95)126)22-14-16-38-101-90(139)77-117-119-120(118-77)58-28-32-60(140-9)33-29-58/h10-12,19-20,25-34,46-47,49-50,52,62-66,68-73,75,104,121-122,124H,5,13-18,21-24,35-45,48H2,1-4,6-9H3,(H2,94,125)(H2,95,126)(H,100,127)(H,101,139)(H,105,123)(H,106,128)(H,107,133)(H,108,134)(H,109,136)(H,110,129)(H,111,132)(H,112,130)(H,113,135)(H,114,138)(H,115,131)(H,116,137)(H4,96,97,102)(H4,98,99,103)/t52-,62+,63+,64+,65+,66+,68+,69+,70+,71+,72+,73+,75+/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339167
(CHEMBL1689399 | N-((4S,7S,10S,13S,16S,19S,22S,25S,...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:74.86,48.62,32.41,20.22,113.124,98.112,wD:84.100,62.75,43.45,24.30,128.134,109.116,122.130,(45.65,16.47,;44.12,16.62,;43.22,15.38,;43.85,13.98,;42.95,12.74,;41.43,12.9,;40.79,14.29,;41.69,15.54,;40.52,11.65,;38.99,11.65,;38.51,10.19,;39.76,9.29,;41,10.19,;39.76,7.76,;41.09,6.97,;38.43,6.97,;38.43,5.43,;37.1,4.66,;37.1,3.13,;35.77,2.36,;35.78,.82,;34.44,.05,;33.11,.81,;33.11,2.36,;31.77,.04,;31.77,-1.5,;33.11,-2.27,;33.11,-3.81,;34.45,-1.5,;30.43,.81,;29.09,.04,;29.09,-1.5,;27.76,.81,;27.76,2.35,;29.09,3.13,;29.09,4.66,;30.42,5.44,;30.41,6.97,;31.74,7.75,;29.08,7.74,;26.43,.03,;25.09,.81,;25.09,2.35,;23.75,.03,;23.75,-1.51,;22.42,.8,;21.08,.03,;21.08,-1.51,;19.75,.8,;19.75,2.35,;21.08,3.11,;22.49,2.49,;23.52,3.64,;22.74,4.97,;23.22,6.44,;22.19,7.59,;20.68,7.27,;20.2,5.8,;21.24,4.65,;18.41,.02,;17.08,.8,;17.08,2.34,;15.74,.02,;15.74,-1.52,;17.08,-2.29,;18.41,-1.52,;19.75,-2.28,;19.75,-3.83,;21.09,-4.59,;18.42,-4.6,;17.08,-3.83,;14.4,.79,;13.07,.02,;13.07,-1.52,;11.74,.79,;11.74,2.33,;13.07,3.1,;14.48,2.48,;15.5,3.63,;14.73,4.97,;13.22,4.64,;10.4,.02,;9.07,.78,;9.07,2.33,;7.73,.01,;7.73,-1.53,;6.4,-2.3,;6.4,-3.83,;5.07,-4.6,;5.07,-6.14,;3.74,-6.91,;2.41,-6.14,;3.75,-8.45,;2.42,-9.22,;5.08,-9.21,;6.39,.78,;5.05,.01,;5.05,-1.53,;3.72,.78,;3.72,2.32,;5.05,3.1,;6.39,2.33,;7.73,3.1,;7.72,4.64,;6.39,5.41,;5.05,4.64,;2.38,0,;1.05,.78,;1.05,2.32,;-.29,.01,;-1.62,.77,;-2.96,.01,;-2.96,-1.54,;-4.3,.77,;-4.3,2.32,;-2.97,3.08,;-2.97,4.63,;-1.63,2.32,;-5.63,0,;-6.96,.77,;-8.29,0,;-6.96,2.31,;-.29,-1.54,;-1.62,-2.31,;1.05,-2.31,;37.11,.05,;37.11,-1.49,;38.45,.82,;39.78,.05,;39.78,-1.49,;41.12,-2.26,;41.12,.83,;42.46,.05,;41.12,2.37,)| Show InChI InChI=1S/C90H125N25O19/c1-49(2)39-67(101-54(9)118)87(131)111-74(53(8)117)88(132)109-70(41-55-21-12-11-13-22-55)84(128)104-64(25-16-18-36-95-77(121)51(5)6)79(123)108-72(44-58-46-94-48-99-58)86(130)106-69(42-56-28-32-60(119)33-29-56)85(129)107-71(43-57-45-98-63-24-15-14-23-62(57)63)82(126)100-52(7)78(122)102-66(27-20-38-97-90(92)93)80(124)105-68(40-50(3)4)83(127)103-65(81(125)110-73(47-116)75(91)120)26-17-19-37-96-89(133)76-112-114-115(113-76)59-30-34-61(134-10)35-31-59/h11-15,21-24,28-35,45-46,48-50,52-53,64-74,98,116-117,119H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,91,120)(H,94,99)(H,95,121)(H,96,133)(H,100,126)(H,101,118)(H,102,122)(H,103,127)(H,104,128)(H,105,124)(H,106,130)(H,107,129)(H,108,123)(H,109,132)(H,110,125)(H,111,131)(H4,92,93,97)/t52-,53+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339168
(CHEMBL1689400)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:78.90,52.66,32.39,20.22,117.128,102.116,wD:88.104,66.79,41.50,24.30,132.138,113.120,126.134,(41.59,2.61,;40.06,2.76,;39.16,1.52,;39.79,.11,;38.89,-1.13,;37.36,-.97,;36.73,.43,;37.62,1.67,;36.46,-2.21,;34.92,-2.22,;34.45,-3.68,;35.7,-4.58,;36.94,-3.67,;35.7,-6.12,;37.03,-6.88,;34.37,-6.89,;34.37,-8.42,;33.04,-9.19,;33.04,-10.73,;31.71,-11.5,;31.71,-13.04,;30.37,-13.81,;29.04,-13.04,;29.04,-11.49,;27.71,-13.82,;27.71,-15.35,;29.04,-16.13,;29.04,-17.67,;30.38,-15.35,;26.37,-13.05,;25.03,-13.82,;25.03,-15.36,;23.7,-13.05,;23.7,-11.5,;25.03,-10.73,;25.03,-9.19,;23.69,-8.42,;26.37,-8.42,;22.36,-13.83,;21.03,-13.05,;21.03,-11.51,;19.69,-13.82,;19.69,-15.36,;21.02,-16.13,;21.02,-17.67,;22.35,-18.44,;22.35,-19.97,;23.68,-20.74,;21.02,-20.74,;18.36,-13.06,;17.02,-13.83,;17.02,-15.37,;15.68,-13.06,;15.68,-11.51,;17.02,-10.75,;18.42,-11.37,;19.46,-10.22,;18.68,-8.88,;19.16,-7.42,;18.12,-6.27,;16.62,-6.59,;16.14,-8.06,;17.17,-9.21,;14.34,-13.83,;13.01,-13.06,;13.01,-11.52,;11.68,-13.84,;11.68,-15.38,;13.01,-16.15,;14.35,-15.37,;15.69,-16.14,;15.69,-17.68,;17.02,-18.45,;14.36,-18.45,;13.02,-17.69,;10.34,-13.06,;9.01,-13.83,;9.01,-15.37,;7.67,-13.07,;7.67,-11.53,;9.01,-10.75,;10.41,-11.37,;11.44,-10.23,;10.67,-8.89,;9.16,-9.22,;6.33,-13.84,;5,-13.07,;5,-11.52,;3.67,-13.85,;3.67,-15.38,;2.34,-16.15,;2.34,-17.69,;1.01,-18.46,;1.01,-20,;-.32,-20.77,;-1.65,-20,;-.32,-22.3,;-1.65,-23.07,;1.01,-23.07,;2.33,-13.08,;.99,-13.85,;.99,-15.39,;-.34,-13.08,;-.34,-11.53,;.99,-10.76,;2.32,-11.53,;3.66,-10.76,;3.66,-9.21,;2.32,-8.45,;.98,-9.22,;-1.69,-13.85,;-3.02,-13.08,;-3.02,-11.54,;-4.35,-13.85,;-5.68,-13.08,;-7.03,-13.85,;-7.03,-15.4,;-8.36,-13.08,;-8.36,-11.54,;-7.03,-10.77,;-7.03,-9.23,;-5.69,-11.54,;-9.7,-13.85,;-11.03,-13.09,;-12.36,-13.86,;-11.03,-11.55,;-4.35,-15.39,;-5.68,-16.17,;-3.01,-16.16,;33.05,-13.8,;33.05,-15.34,;34.39,-13.03,;35.72,-13.81,;35.72,-15.35,;37.06,-16.12,;37.06,-13.03,;38.39,-13.8,;37.06,-11.49,)| Show InChI InChI=1S/C92H128N26O20/c1-50(2)40-68(103-54(8)121)89(135)114-76(53(7)120)90(136)112-71(42-55-20-11-10-12-21-55)85(131)105-64(24-15-17-37-98-79(125)52(5)6)81(127)111-73(45-58-47-97-49-102-58)88(134)109-70(43-56-27-31-60(122)32-28-56)86(132)110-72(44-57-46-101-63-23-14-13-22-62(57)63)87(133)106-66(26-19-39-100-92(95)96)80(126)107-67(35-36-75(93)123)83(129)108-69(41-51(3)4)84(130)104-65(82(128)113-74(48-119)77(94)124)25-16-18-38-99-91(137)78-115-117-118(116-78)59-29-33-61(138-9)34-30-59/h10-14,20-23,27-34,46-47,49-51,53,64-74,76,101,119-120,122H,5,15-19,24-26,35-45,48H2,1-4,6-9H3,(H2,93,123)(H2,94,124)(H,97,102)(H,98,125)(H,99,137)(H,103,121)(H,104,130)(H,105,131)(H,106,133)(H,107,126)(H,108,129)(H,109,134)(H,110,132)(H,111,127)(H,112,136)(H,113,128)(H,114,135)(H4,95,96,100)/t53-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,76+/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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339173
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C77H108N18O20/c1-40(2)30-56(85-45(8)99)72(110)87-53(20-14-15-29-81-44(7)98)68(106)90-58(32-46-16-10-9-11-17-46)73(111)88-55(26-28-64(102)103)70(108)93-61(35-49-37-80-39-83-49)75(113)91-59(33-47-21-23-50(100)24-22-47)74(112)92-60(34-48-36-82-52-19-13-12-18-51(48)52)71(109)84-42(5)67(105)86-54(25-27-63(78)101)69(107)89-57(31-41(3)4)76(114)95-65(43(6)97)77(115)94-62(38-96)66(79)104/h9-13,16-19,21-24,36-37,39-43,53-62,65,82,96-97,100H,14-15,20,25-35,38H2,1-8H3,(H2,78,101)(H2,79,104)(H,80,83)(H,81,98)(H,84,109)(H,85,99)(H,86,105)(H,87,110)(H,88,111)(H,89,107)(H,90,106)(H,91,113)(H,92,112)(H,93,108)(H,94,115)(H,95,114)(H,102,103)/t42-,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339170
(CHEMBL1689402)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:52.66,32.39,20.22,118.128,103.116,78.90,wD:41.50,24.30,133.138,114.120,127.134,89.104,66.79,(48.94,2.99,;47.41,3.14,;46.51,1.9,;47.14,.51,;46.24,-.74,;44.71,-.58,;44.08,.81,;44.97,2.06,;43.81,-1.83,;42.27,-1.83,;41.8,-3.28,;43.05,-4.19,;44.29,-3.3,;43.05,-5.73,;44.38,-6.5,;41.72,-6.5,;41.72,-8.04,;40.39,-8.81,;40.39,-10.35,;39.06,-11.12,;39.06,-12.66,;37.72,-13.43,;36.39,-12.66,;36.39,-11.11,;35.06,-13.43,;35.06,-14.97,;36.39,-15.74,;36.39,-17.28,;37.73,-14.97,;33.72,-12.67,;32.38,-13.44,;32.38,-14.98,;31.05,-12.66,;31.05,-11.12,;32.38,-10.35,;32.38,-8.8,;31.04,-8.03,;33.72,-8.04,;29.71,-13.44,;28.38,-12.67,;28.38,-11.13,;27.04,-13.44,;27.04,-14.98,;28.37,-15.75,;28.37,-17.29,;29.7,-18.05,;29.7,-19.59,;31.03,-20.36,;28.37,-20.36,;25.71,-12.67,;24.37,-13.44,;24.37,-14.98,;23.03,-12.68,;23.03,-11.13,;24.37,-10.36,;25.77,-10.98,;26.81,-9.83,;26.03,-8.5,;26.51,-7.02,;25.47,-5.89,;23.97,-6.22,;23.49,-7.68,;24.52,-8.82,;21.69,-13.45,;20.37,-12.68,;20.37,-11.13,;19.03,-13.45,;19.03,-14.99,;20.37,-15.77,;21.7,-14.99,;23.04,-15.76,;23.04,-17.3,;24.37,-18.07,;21.71,-18.07,;20.37,-17.31,;17.69,-12.68,;16.36,-13.45,;16.36,-14.99,;15.02,-12.69,;15.02,-11.14,;16.35,-10.37,;16.35,-8.84,;17.68,-8.07,;17.68,-6.53,;19.02,-5.76,;16.35,-5.76,;13.68,-13.46,;12.35,-12.69,;12.35,-11.14,;11.02,-13.46,;11.02,-15,;9.69,-15.77,;9.69,-17.31,;8.36,-18.08,;8.36,-19.61,;7.03,-20.38,;5.7,-19.62,;7.03,-21.92,;5.7,-22.69,;8.37,-22.69,;9.68,-12.7,;8.34,-13.47,;8.34,-15.01,;7.01,-12.69,;7.01,-11.15,;8.34,-10.38,;9.67,-11.15,;11.01,-10.37,;11.01,-8.83,;9.67,-8.06,;8.33,-8.83,;5.67,-13.47,;4.34,-12.7,;4.34,-11.16,;3,-13.47,;1.67,-12.7,;.32,-13.47,;.32,-15.01,;-1.01,-12.7,;-1.01,-11.16,;.32,-10.39,;.32,-8.84,;1.66,-11.16,;-2.35,-13.47,;-3.68,-12.7,;-5.01,-13.47,;-3.67,-11.16,;3,-15.01,;1.67,-15.78,;4.34,-15.78,;40.4,-13.42,;40.4,-14.96,;41.74,-12.65,;43.07,-13.42,;43.07,-14.96,;44.41,-15.74,;44.41,-12.65,;45.74,-13.42,;44.41,-11.1,)| Show InChI InChI=1S/C92H133N27O20/c1-50(2)43-68(104-54(8)122)88(136)115-75(53(7)121)89(137)113-71(45-55-21-11-10-12-22-55)85(133)107-63(25-15-17-39-99-78(126)52(5)6)79(127)105-66(28-20-42-102-92(97)98)81(129)111-70(46-56-29-33-59(123)34-30-56)86(134)112-72(47-57-48-103-62-24-14-13-23-61(57)62)87(135)108-65(27-19-41-101-91(95)96)80(128)109-67(37-38-74(93)124)83(131)110-69(44-51(3)4)84(132)106-64(82(130)114-73(49-120)76(94)125)26-16-18-40-100-90(138)77-116-118-119(117-77)58-31-35-60(139-9)36-32-58/h10-14,21-24,29-36,48,50-51,53,63-73,75,103,120-121,123H,5,15-20,25-28,37-47,49H2,1-4,6-9H3,(H2,93,124)(H2,94,125)(H,99,126)(H,100,138)(H,104,122)(H,105,127)(H,106,132)(H,107,133)(H,108,135)(H,109,128)(H,110,131)(H,111,129)(H,112,134)(H,113,137)(H,114,130)(H,115,136)(H4,95,96,101)(H4,97,98,102)/t53-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,75+/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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339169
(CHEMBL1689401 | N-((4S,7S,10S,13S,16S,19S,22S,25S,...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:48.62,32.41,20.22,114.124,99.112,74.86,wD:62.75,43.45,24.30,129.134,110.116,123.130,85.100,(46.88,-25.17,;45.35,-25.02,;44.45,-26.26,;45.08,-27.67,;44.18,-28.91,;42.65,-28.75,;42.02,-27.35,;42.91,-26.11,;41.75,-29.99,;40.21,-30,;39.74,-31.46,;40.99,-32.36,;42.23,-31.45,;40.99,-33.9,;42.32,-34.66,;39.66,-34.67,;39.66,-36.2,;38.33,-36.97,;38.33,-38.51,;37,-39.28,;37,-40.82,;35.66,-41.59,;34.33,-40.82,;34.33,-39.27,;33,-41.59,;33,-43.13,;34.33,-43.91,;34.33,-45.45,;35.67,-43.13,;31.66,-40.83,;30.32,-41.6,;30.32,-43.14,;28.99,-40.83,;28.99,-39.28,;30.32,-38.51,;30.32,-36.97,;31.64,-36.2,;31.64,-34.66,;32.97,-33.89,;30.3,-33.9,;27.65,-41.6,;26.32,-40.83,;26.32,-39.29,;24.98,-41.6,;24.98,-43.14,;23.65,-40.84,;22.31,-41.61,;22.31,-43.15,;20.97,-40.84,;20.97,-39.29,;22.31,-38.53,;23.71,-39.15,;24.75,-38,;23.97,-36.66,;24.45,-35.2,;23.41,-34.05,;21.91,-34.37,;21.43,-35.84,;22.46,-36.99,;19.63,-41.61,;18.31,-40.84,;18.31,-39.3,;16.97,-41.62,;16.97,-43.16,;18.31,-43.93,;19.64,-43.15,;20.98,-43.92,;20.98,-45.46,;22.31,-46.23,;19.65,-46.23,;18.31,-45.47,;15.63,-40.84,;14.3,-41.61,;14.3,-43.15,;12.96,-40.85,;12.96,-39.31,;14.3,-38.53,;14.3,-37,;15.63,-36.23,;15.63,-34.69,;16.96,-33.92,;14.29,-33.92,;11.62,-41.62,;10.29,-40.85,;10.29,-39.3,;8.96,-41.62,;8.96,-43.16,;7.63,-43.93,;7.63,-45.47,;6.3,-46.24,;6.3,-47.78,;4.97,-48.55,;3.64,-47.78,;4.97,-50.08,;3.64,-50.85,;6.31,-50.85,;7.62,-40.86,;6.28,-41.63,;6.28,-43.17,;4.95,-40.86,;4.95,-39.31,;6.28,-38.54,;7.61,-39.31,;8.95,-38.54,;8.95,-36.99,;7.61,-36.23,;6.27,-37,;3.61,-41.63,;2.27,-40.86,;2.27,-39.32,;.94,-41.63,;-.39,-40.86,;-1.74,-41.63,;-1.74,-43.18,;-3.07,-40.86,;-3.07,-39.32,;-1.74,-38.55,;-1.74,-37,;-.4,-39.32,;-4.41,-41.63,;-5.74,-40.87,;-7.07,-41.64,;-5.74,-39.33,;.94,-43.17,;-.39,-43.95,;2.28,-43.94,;38.34,-41.58,;38.34,-43.12,;39.68,-40.81,;41.01,-41.59,;41.01,-43.13,;42.35,-43.9,;42.35,-40.81,;43.68,-41.58,;42.35,-39.27,)| Show InChI InChI=1S/C90H130N26O19/c1-49(2)42-67(102-54(9)119)86(132)112-73(53(8)118)87(133)110-70(44-55-22-12-11-13-23-55)84(130)106-63(26-16-18-38-96-76(122)51(5)6)78(124)104-66(29-21-41-99-90(94)95)80(126)108-69(45-56-30-34-59(120)35-31-56)85(131)109-71(46-57-47-100-62-25-15-14-24-61(57)62)82(128)101-52(7)77(123)103-65(28-20-40-98-89(92)93)79(125)107-68(43-50(3)4)83(129)105-64(81(127)111-72(48-117)74(91)121)27-17-19-39-97-88(134)75-113-115-116(114-75)58-32-36-60(135-10)37-33-58/h11-15,22-25,30-37,47,49-50,52-53,63-73,100,117-118,120H,5,16-21,26-29,38-46,48H2,1-4,6-10H3,(H2,91,121)(H,96,122)(H,97,134)(H,101,128)(H,102,119)(H,103,123)(H,104,124)(H,105,129)(H,106,130)(H,107,125)(H,108,126)(H,109,131)(H,110,133)(H,111,127)(H,112,132)(H4,92,93,98)(H4,94,95,99)/t52-,53+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339161
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C73H101N17O20/c1-36(2)26-51(80-41(8)94)70(107)89-60(39(6)92)72(109)87-54(28-42-14-10-9-11-15-42)67(104)82-50(23-25-59(97)98)65(102)86-56(31-45-33-76-35-78-45)69(106)84-53(29-43-18-20-46(95)21-19-43)68(105)85-55(30-44-32-77-48-17-13-12-16-47(44)48)66(103)79-38(5)63(100)81-49(22-24-58(74)96)64(101)83-52(27-37(3)4)71(108)90-61(40(7)93)73(110)88-57(34-91)62(75)99/h9-21,32-33,35-40,49-57,60-61,77,91-93,95H,22-31,34H2,1-8H3,(H2,74,96)(H2,75,99)(H,76,78)(H,79,103)(H,80,94)(H,81,100)(H,82,104)(H,83,101)(H,84,106)(H,85,105)(H,86,102)(H,87,109)(H,88,110)(H,89,107)(H,90,108)(H,97,98)/t38-,39+,40+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339162
((2S)-2-((8S,11S,14S,17S,20S)-17-((1H-imidazol-5-yl...)Show SMILES COc1ccc(cc1)N1N=C2CC1(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCCNC2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:10| Show InChI InChI=1S/C90H123N21O21/c1-48(2)37-65(98-52(7)115)85(127)108-74(50(5)113)87(129)106-68(39-53-19-11-10-12-20-53)81(123)99-63-24-16-18-36-95-89(131)90(8)43-71(110-111(90)57-27-31-59(132-9)32-28-57)77(119)94-35-17-15-23-62(78(120)101-64(33-34-73(91)117)80(122)102-66(38-49(3)4)86(128)109-75(51(6)114)88(130)107-72(46-112)76(92)118)100-83(125)69(41-55-44-96-61-22-14-13-21-60(55)61)104-82(124)67(40-54-25-29-58(116)30-26-54)103-84(126)70(105-79(63)121)42-56-45-93-47-97-56/h10-14,19-22,25-32,44-45,47-51,62-70,72,74-75,96,112-114,116H,15-18,23-24,33-43,46H2,1-9H3,(H2,91,117)(H2,92,118)(H,93,97)(H,94,119)(H,95,131)(H,98,115)(H,99,123)(H,100,125)(H,101,120)(H,102,122)(H,103,126)(H,104,124)(H,105,121)(H,106,129)(H,107,130)(H,108,127)(H,109,128)/t50-,51-,62+,63+,64+,65+,66+,67+,68+,69+,70+,72+,74+,75+,90?/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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339163
(CHEMBL1689395 | N-((4S,7S,10S,13S,16S,19S,22S,25S)...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:50.62,24.38,104.110,123.129,124.132,89.100,74.88,wD:60.76,38.51,20.22,115.121,130.136,85.92,98.106,(50.55,-56.08,;52.09,-56.23,;52.99,-54.99,;52.36,-53.58,;53.26,-52.33,;54.79,-52.5,;55.42,-53.89,;54.53,-55.14,;55.7,-51.25,;57.24,-51.25,;57.71,-49.78,;56.46,-48.88,;55.22,-49.78,;56.46,-47.34,;57.79,-46.57,;55.12,-46.57,;55.12,-45.03,;53.79,-44.26,;53.79,-42.72,;52.45,-41.95,;52.45,-40.41,;51.12,-39.65,;49.78,-40.42,;49.78,-41.95,;48.45,-39.65,;48.45,-38.11,;49.78,-37.34,;51.18,-37.96,;52.21,-36.82,;51.44,-35.48,;51.92,-34.01,;50.88,-32.87,;49.38,-33.19,;48.9,-34.66,;49.94,-35.8,;47.11,-40.42,;45.78,-39.66,;45.78,-38.11,;44.45,-40.43,;44.45,-41.96,;45.78,-42.74,;47.12,-41.96,;48.46,-42.73,;48.45,-44.26,;49.79,-45.03,;47.12,-45.04,;45.79,-44.27,;43.12,-39.65,;41.77,-40.42,;41.77,-41.97,;40.45,-39.66,;40.45,-38.11,;41.77,-37.34,;43.18,-37.97,;44.21,-36.82,;43.44,-35.49,;41.93,-35.81,;39.11,-40.43,;37.78,-39.66,;37.78,-38.12,;36.44,-40.44,;36.45,-41.98,;37.78,-42.74,;37.78,-44.28,;39.12,-45.05,;39.12,-46.59,;40.45,-47.36,;41.79,-46.59,;40.46,-48.9,;41.79,-49.67,;39.12,-49.67,;35.11,-39.67,;33.77,-40.44,;33.77,-41.98,;32.45,-39.67,;32.45,-38.13,;33.77,-37.36,;35.11,-38.12,;36.44,-37.35,;36.44,-35.81,;35.1,-35.04,;33.77,-35.82,;31.11,-40.44,;29.78,-39.67,;29.78,-38.13,;28.44,-40.44,;27.11,-39.67,;25.77,-40.44,;25.77,-41.98,;24.45,-39.67,;24.45,-38.14,;25.77,-37.37,;25.77,-35.82,;27.1,-38.13,;23.11,-40.44,;21.77,-39.67,;20.44,-40.44,;21.77,-38.13,;28.44,-41.98,;27.11,-42.75,;29.78,-42.75,;53.78,-39.64,;53.78,-38.1,;55.11,-40.41,;56.45,-39.64,;56.45,-38.1,;57.79,-37.33,;57.79,-35.79,;59.11,-35.02,;59.11,-33.47,;57.78,-32.7,;60.44,-32.71,;57.79,-40.41,;57.79,-41.95,;59.12,-39.64,;60.45,-40.41,;60.45,-41.94,;61.78,-42.71,;61.78,-44.25,;63.13,-41.94,;61.78,-39.63,;61.78,-38.09,;63.12,-40.4,;64.46,-39.63,;64.46,-38.08,;63.12,-37.32,;65.78,-37.31,;65.78,-40.39,;65.78,-41.94,;67.12,-39.62,;68.45,-40.4,;68.45,-41.93,;69.79,-42.71,;69.79,-39.63,;71.12,-40.39,;69.79,-38.08,)| Show InChI InChI=1S/C91H127N25O20/c1-49(2)39-67(101-54(9)120)86(131)111-74(52(7)118)88(133)109-70(41-55-21-12-11-13-22-55)82(127)103-65(26-16-18-36-96-78(123)51(5)6)80(125)108-72(44-58-46-95-48-100-58)85(130)106-69(42-56-28-32-60(121)33-29-56)83(128)107-71(43-57-45-99-63-24-15-14-23-62(57)63)84(129)104-64(25-17-19-37-97-90(135)77-113-115-116(114-77)59-30-34-61(136-10)35-31-59)79(124)102-66(27-20-38-98-91(93)94)81(126)105-68(40-50(3)4)87(132)112-75(53(8)119)89(134)110-73(47-117)76(92)122/h11-15,21-24,28-35,45-46,48-50,52-53,64-75,99,117-119,121H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,92,122)(H,95,100)(H,96,123)(H,97,135)(H,101,120)(H,102,124)(H,103,127)(H,104,129)(H,105,126)(H,106,130)(H,107,128)(H,108,125)(H,109,133)(H,110,134)(H,111,131)(H,112,132)(H4,93,94,98)/t52-,53-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+/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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339174
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-17-((1H-indol-3...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C75H108N16O21/c1-38(2)31-54(81-44(9)96)72(109)90-62(41(6)93)74(111)88-57(33-45-17-11-10-12-18-45)70(107)84-53(27-29-61(99)100)67(104)83-51(21-15-16-30-78-43(8)95)66(103)86-56(34-46-22-24-48(97)25-23-46)71(108)87-58(35-47-36-79-50-20-14-13-19-49(47)50)69(106)80-40(5)65(102)82-52(26-28-60(76)98)68(105)85-55(32-39(3)4)73(110)91-63(42(7)94)75(112)89-59(37-92)64(77)101/h10-14,17-20,22-25,36,38-42,51-59,62-63,79,92-94,97H,15-16,21,26-35,37H2,1-9H3,(H2,76,98)(H2,77,101)(H,78,95)(H,80,106)(H,81,96)(H,82,102)(H,83,104)(H,84,107)(H,85,105)(H,86,103)(H,87,108)(H,88,111)(H,89,112)(H,90,109)(H,91,110)(H,99,100)/t40-,41+,42+,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339176
(CHEMBL1689406)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C76H108N18O19/c1-39(2)29-55(84-45(9)99)73(110)93-63(42(6)96)75(112)91-58(31-46-17-11-10-12-18-46)70(107)86-53(21-15-16-28-80-44(8)98)67(104)90-60(34-49-36-79-38-82-49)72(109)88-57(32-47-22-24-50(100)25-23-47)71(108)89-59(33-48-35-81-52-20-14-13-19-51(48)52)69(106)83-41(5)66(103)85-54(26-27-62(77)101)68(105)87-56(30-40(3)4)74(111)94-64(43(7)97)76(113)92-61(37-95)65(78)102/h10-14,17-20,22-25,35-36,38-43,53-61,63-64,81,95-97,100H,15-16,21,26-34,37H2,1-9H3,(H2,77,101)(H2,78,102)(H,79,82)(H,80,98)(H,83,106)(H,84,99)(H,85,103)(H,86,107)(H,87,105)(H,88,109)(H,89,108)(H,90,104)(H,91,112)(H,92,113)(H,93,110)(H,94,111)/t41-,42+,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339164
(CHEMBL1689396 | N-((4S,7S,10S,13S,16S,19S,22S,25S)...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(N)=O |r,wU:50.62,24.38,104.110,123.129,89.100,74.88,wD:38.51,20.22,115.121,134.140,85.92,98.106,60.76,(27.19,-12.86,;28.72,-13.01,;29.62,-11.76,;29,-10.36,;29.9,-9.11,;31.43,-9.27,;32.06,-10.67,;31.16,-11.92,;32.33,-8.03,;33.87,-8.03,;34.35,-6.56,;33.1,-5.66,;31.86,-6.56,;33.09,-4.12,;34.43,-3.34,;31.76,-3.35,;31.76,-1.81,;30.42,-1.04,;30.42,.5,;29.09,1.27,;29.08,2.81,;27.75,3.58,;26.42,2.8,;26.42,1.27,;25.09,3.57,;25.09,5.12,;26.42,5.88,;27.82,5.26,;28.85,6.41,;28.08,7.75,;28.55,9.21,;27.52,10.36,;26.02,10.04,;25.54,8.57,;26.57,7.42,;23.75,2.8,;22.42,3.57,;22.42,5.11,;21.08,2.79,;21.08,1.26,;22.42,.49,;23.75,1.26,;25.09,.5,;25.09,-1.04,;26.42,-1.81,;23.76,-1.82,;22.42,-1.05,;19.75,3.57,;18.41,2.8,;18.41,1.25,;17.09,3.56,;17.09,5.11,;18.41,5.88,;19.82,5.25,;20.85,6.4,;20.07,7.74,;18.57,7.41,;15.75,2.79,;14.41,3.56,;14.41,5.1,;13.08,2.79,;13.08,1.25,;14.42,.48,;14.42,-1.06,;15.75,-1.83,;15.76,-3.37,;17.09,-4.14,;18.42,-3.37,;17.09,-5.68,;18.43,-6.45,;15.76,-6.45,;11.75,3.55,;10.41,2.78,;10.41,1.25,;9.08,3.55,;9.08,5.09,;10.41,5.86,;11.74,5.1,;13.08,5.87,;13.07,7.41,;11.74,8.19,;10.41,7.41,;7.74,2.78,;6.41,3.55,;6.41,5.09,;5.08,2.78,;3.74,3.55,;2.41,2.78,;2.41,1.24,;1.08,3.55,;1.08,5.09,;2.41,5.85,;2.41,7.4,;3.74,5.09,;-.26,2.78,;-1.59,3.55,;-2.93,2.78,;-1.59,5.09,;5.08,1.24,;3.75,.47,;6.41,.47,;30.42,3.58,;30.42,5.12,;31.75,2.81,;33.09,3.58,;33.09,5.12,;34.42,5.89,;34.42,7.44,;35.75,8.21,;35.75,9.76,;34.41,10.53,;37.08,10.53,;34.42,2.81,;34.42,1.28,;35.76,3.58,;37.09,2.82,;37.09,1.28,;38.42,.51,;38.42,-1.03,;39.76,1.28,;38.42,3.59,;38.42,5.13,;39.75,2.82,;41.09,3.59,;41.09,5.13,;42.43,5.9,;42.43,7.44,;43.77,8.22,;43.77,9.76,;45.1,10.53,;42.43,10.52,;42.42,2.83,;42.42,1.28,;43.76,3.6,;45.09,2.82,;45.09,1.29,;46.42,.52,;46.42,3.6,;47.75,2.83,;46.42,5.14,)| Show InChI InChI=1S/C93H132N28O19/c1-51(2)41-69(106-55(8)124)89(137)117-76(54(7)123)90(138)115-72(43-56-21-11-10-12-22-56)85(133)108-66(26-15-17-37-100-79(127)53(5)6)81(129)114-74(46-59-48-99-50-105-59)88(136)112-71(44-57-29-33-61(125)34-30-57)86(134)113-73(45-58-47-104-64-24-14-13-23-63(58)64)87(135)109-65(25-16-18-38-101-91(139)78-118-120-121(119-78)60-31-35-62(140-9)36-32-60)80(128)107-67(27-19-39-102-92(95)96)82(130)111-70(42-52(3)4)84(132)110-68(28-20-40-103-93(97)98)83(131)116-75(49-122)77(94)126/h10-14,21-24,29-36,47-48,50-52,54,65-76,104,122-123,125H,5,15-20,25-28,37-46,49H2,1-4,6-9H3,(H2,94,126)(H,99,105)(H,100,127)(H,101,139)(H,106,124)(H,107,128)(H,108,133)(H,109,135)(H,110,132)(H,111,130)(H,112,136)(H,113,134)(H,114,129)(H,115,138)(H,116,131)(H,117,137)(H4,95,96,102)(H4,97,98,103)/t54-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+/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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339177
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C78H110N18O21/c1-40(2)30-56(85-45(8)101)75(114)95-65(42(5)98)77(116)93-59(32-46-16-10-9-11-17-46)71(110)88-55(26-28-64(104)105)70(109)92-61(35-49-37-81-39-84-49)74(113)90-58(33-47-21-23-50(102)24-22-47)72(111)91-60(34-48-36-83-52-19-13-12-18-51(48)52)73(112)86-53(20-14-15-29-82-44(7)100)68(107)87-54(25-27-63(79)103)69(108)89-57(31-41(3)4)76(115)96-66(43(6)99)78(117)94-62(38-97)67(80)106/h9-13,16-19,21-24,36-37,39-43,53-62,65-66,83,97-99,102H,14-15,20,25-35,38H2,1-8H3,(H2,79,103)(H2,80,106)(H,81,84)(H,82,100)(H,85,101)(H,86,112)(H,87,107)(H,88,110)(H,89,108)(H,90,113)(H,91,111)(H,92,109)(H,93,116)(H,94,117)(H,95,114)(H,96,115)(H,104,105)/t42-,43-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+,66+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339165
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-17-((1H-indol-3...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C87H120N20O22/c1-46(2)39-64(93-52(10)111)83(124)102-71(50(8)109)85(126)100-67(41-53-21-13-12-14-22-53)81(122)96-63(35-36-70(113)114)79(120)95-62(26-17-19-37-89-75(116)48(5)6)78(119)98-66(42-54-27-31-57(112)32-28-54)82(123)99-68(43-55-44-91-60-24-16-15-23-59(55)60)80(121)92-49(7)76(117)94-61(25-18-20-38-90-87(128)74-104-106-107(105-74)56-29-33-58(129-11)34-30-56)77(118)97-65(40-47(3)4)84(125)103-72(51(9)110)86(127)101-69(45-108)73(88)115/h12-16,21-24,27-34,44,46-47,49-51,61-69,71-72,91,108-110,112H,5,17-20,25-26,35-43,45H2,1-4,6-11H3,(H2,88,115)(H,89,116)(H,90,128)(H,92,121)(H,93,111)(H,94,117)(H,95,120)(H,96,122)(H,97,118)(H,98,119)(H,99,123)(H,100,126)(H,101,127)(H,102,124)(H,103,125)(H,113,114)/t49-,50+,51+,61-,62-,63-,64-,65-,66-,67-,68-,69-,71-,72-/m0/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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339178
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C76H107N17O20/c1-39(2)29-55(83-45(9)98)73(110)92-63(42(6)95)75(112)90-58(31-46-17-11-10-12-18-46)70(107)85-54(26-27-62(100)101)68(105)89-60(34-49-36-78-38-81-49)72(109)87-57(32-47-22-24-50(99)25-23-47)71(108)88-59(33-48-35-80-52-20-14-13-19-51(48)52)69(106)82-41(5)66(103)84-53(21-15-16-28-79-44(8)97)67(104)86-56(30-40(3)4)74(111)93-64(43(7)96)76(113)91-61(37-94)65(77)102/h10-14,17-20,22-25,35-36,38-43,53-61,63-64,80,94-96,99H,15-16,21,26-34,37H2,1-9H3,(H2,77,102)(H,78,81)(H,79,97)(H,82,106)(H,83,98)(H,84,103)(H,85,107)(H,86,104)(H,87,109)(H,88,108)(H,89,105)(H,90,112)(H,91,113)(H,92,110)(H,93,111)(H,100,101)/t41-,42+,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339168
(CHEMBL1689400)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:78.90,52.66,32.39,20.22,117.128,102.116,wD:88.104,66.79,41.50,24.30,132.138,113.120,126.134,(41.59,2.61,;40.06,2.76,;39.16,1.52,;39.79,.11,;38.89,-1.13,;37.36,-.97,;36.73,.43,;37.62,1.67,;36.46,-2.21,;34.92,-2.22,;34.45,-3.68,;35.7,-4.58,;36.94,-3.67,;35.7,-6.12,;37.03,-6.88,;34.37,-6.89,;34.37,-8.42,;33.04,-9.19,;33.04,-10.73,;31.71,-11.5,;31.71,-13.04,;30.37,-13.81,;29.04,-13.04,;29.04,-11.49,;27.71,-13.82,;27.71,-15.35,;29.04,-16.13,;29.04,-17.67,;30.38,-15.35,;26.37,-13.05,;25.03,-13.82,;25.03,-15.36,;23.7,-13.05,;23.7,-11.5,;25.03,-10.73,;25.03,-9.19,;23.69,-8.42,;26.37,-8.42,;22.36,-13.83,;21.03,-13.05,;21.03,-11.51,;19.69,-13.82,;19.69,-15.36,;21.02,-16.13,;21.02,-17.67,;22.35,-18.44,;22.35,-19.97,;23.68,-20.74,;21.02,-20.74,;18.36,-13.06,;17.02,-13.83,;17.02,-15.37,;15.68,-13.06,;15.68,-11.51,;17.02,-10.75,;18.42,-11.37,;19.46,-10.22,;18.68,-8.88,;19.16,-7.42,;18.12,-6.27,;16.62,-6.59,;16.14,-8.06,;17.17,-9.21,;14.34,-13.83,;13.01,-13.06,;13.01,-11.52,;11.68,-13.84,;11.68,-15.38,;13.01,-16.15,;14.35,-15.37,;15.69,-16.14,;15.69,-17.68,;17.02,-18.45,;14.36,-18.45,;13.02,-17.69,;10.34,-13.06,;9.01,-13.83,;9.01,-15.37,;7.67,-13.07,;7.67,-11.53,;9.01,-10.75,;10.41,-11.37,;11.44,-10.23,;10.67,-8.89,;9.16,-9.22,;6.33,-13.84,;5,-13.07,;5,-11.52,;3.67,-13.85,;3.67,-15.38,;2.34,-16.15,;2.34,-17.69,;1.01,-18.46,;1.01,-20,;-.32,-20.77,;-1.65,-20,;-.32,-22.3,;-1.65,-23.07,;1.01,-23.07,;2.33,-13.08,;.99,-13.85,;.99,-15.39,;-.34,-13.08,;-.34,-11.53,;.99,-10.76,;2.32,-11.53,;3.66,-10.76,;3.66,-9.21,;2.32,-8.45,;.98,-9.22,;-1.69,-13.85,;-3.02,-13.08,;-3.02,-11.54,;-4.35,-13.85,;-5.68,-13.08,;-7.03,-13.85,;-7.03,-15.4,;-8.36,-13.08,;-8.36,-11.54,;-7.03,-10.77,;-7.03,-9.23,;-5.69,-11.54,;-9.7,-13.85,;-11.03,-13.09,;-12.36,-13.86,;-11.03,-11.55,;-4.35,-15.39,;-5.68,-16.17,;-3.01,-16.16,;33.05,-13.8,;33.05,-15.34,;34.39,-13.03,;35.72,-13.81,;35.72,-15.35,;37.06,-16.12,;37.06,-13.03,;38.39,-13.8,;37.06,-11.49,)| Show InChI InChI=1S/C92H128N26O20/c1-50(2)40-68(103-54(8)121)89(135)114-76(53(7)120)90(136)112-71(42-55-20-11-10-12-21-55)85(131)105-64(24-15-17-37-98-79(125)52(5)6)81(127)111-73(45-58-47-97-49-102-58)88(134)109-70(43-56-27-31-60(122)32-28-56)86(132)110-72(44-57-46-101-63-23-14-13-22-62(57)63)87(133)106-66(26-19-39-100-92(95)96)80(126)107-67(35-36-75(93)123)83(129)108-69(41-51(3)4)84(130)104-65(82(128)113-74(48-119)77(94)124)25-16-18-38-99-91(137)78-115-117-118(116-78)59-29-33-61(138-9)34-30-59/h10-14,20-23,27-34,46-47,49-51,53,64-74,76,101,119-120,122H,5,15-19,24-26,35-45,48H2,1-4,6-9H3,(H2,93,123)(H2,94,124)(H,97,102)(H,98,125)(H,99,137)(H,103,121)(H,104,130)(H,105,131)(H,106,133)(H,107,126)(H,108,129)(H,109,134)(H,110,132)(H,111,127)(H,112,136)(H,113,128)(H,114,135)(H4,95,96,100)/t53-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,76+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339163
(CHEMBL1689395 | N-((4S,7S,10S,13S,16S,19S,22S,25S)...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:50.62,24.38,104.110,123.129,124.132,89.100,74.88,wD:60.76,38.51,20.22,115.121,130.136,85.92,98.106,(50.55,-56.08,;52.09,-56.23,;52.99,-54.99,;52.36,-53.58,;53.26,-52.33,;54.79,-52.5,;55.42,-53.89,;54.53,-55.14,;55.7,-51.25,;57.24,-51.25,;57.71,-49.78,;56.46,-48.88,;55.22,-49.78,;56.46,-47.34,;57.79,-46.57,;55.12,-46.57,;55.12,-45.03,;53.79,-44.26,;53.79,-42.72,;52.45,-41.95,;52.45,-40.41,;51.12,-39.65,;49.78,-40.42,;49.78,-41.95,;48.45,-39.65,;48.45,-38.11,;49.78,-37.34,;51.18,-37.96,;52.21,-36.82,;51.44,-35.48,;51.92,-34.01,;50.88,-32.87,;49.38,-33.19,;48.9,-34.66,;49.94,-35.8,;47.11,-40.42,;45.78,-39.66,;45.78,-38.11,;44.45,-40.43,;44.45,-41.96,;45.78,-42.74,;47.12,-41.96,;48.46,-42.73,;48.45,-44.26,;49.79,-45.03,;47.12,-45.04,;45.79,-44.27,;43.12,-39.65,;41.77,-40.42,;41.77,-41.97,;40.45,-39.66,;40.45,-38.11,;41.77,-37.34,;43.18,-37.97,;44.21,-36.82,;43.44,-35.49,;41.93,-35.81,;39.11,-40.43,;37.78,-39.66,;37.78,-38.12,;36.44,-40.44,;36.45,-41.98,;37.78,-42.74,;37.78,-44.28,;39.12,-45.05,;39.12,-46.59,;40.45,-47.36,;41.79,-46.59,;40.46,-48.9,;41.79,-49.67,;39.12,-49.67,;35.11,-39.67,;33.77,-40.44,;33.77,-41.98,;32.45,-39.67,;32.45,-38.13,;33.77,-37.36,;35.11,-38.12,;36.44,-37.35,;36.44,-35.81,;35.1,-35.04,;33.77,-35.82,;31.11,-40.44,;29.78,-39.67,;29.78,-38.13,;28.44,-40.44,;27.11,-39.67,;25.77,-40.44,;25.77,-41.98,;24.45,-39.67,;24.45,-38.14,;25.77,-37.37,;25.77,-35.82,;27.1,-38.13,;23.11,-40.44,;21.77,-39.67,;20.44,-40.44,;21.77,-38.13,;28.44,-41.98,;27.11,-42.75,;29.78,-42.75,;53.78,-39.64,;53.78,-38.1,;55.11,-40.41,;56.45,-39.64,;56.45,-38.1,;57.79,-37.33,;57.79,-35.79,;59.11,-35.02,;59.11,-33.47,;57.78,-32.7,;60.44,-32.71,;57.79,-40.41,;57.79,-41.95,;59.12,-39.64,;60.45,-40.41,;60.45,-41.94,;61.78,-42.71,;61.78,-44.25,;63.13,-41.94,;61.78,-39.63,;61.78,-38.09,;63.12,-40.4,;64.46,-39.63,;64.46,-38.08,;63.12,-37.32,;65.78,-37.31,;65.78,-40.39,;65.78,-41.94,;67.12,-39.62,;68.45,-40.4,;68.45,-41.93,;69.79,-42.71,;69.79,-39.63,;71.12,-40.39,;69.79,-38.08,)| Show InChI InChI=1S/C91H127N25O20/c1-49(2)39-67(101-54(9)120)86(131)111-74(52(7)118)88(133)109-70(41-55-21-12-11-13-22-55)82(127)103-65(26-16-18-36-96-78(123)51(5)6)80(125)108-72(44-58-46-95-48-100-58)85(130)106-69(42-56-28-32-60(121)33-29-56)83(128)107-71(43-57-45-99-63-24-15-14-23-62(57)63)84(129)104-64(25-17-19-37-97-90(135)77-113-115-116(114-77)59-30-34-61(136-10)35-31-59)79(124)102-66(27-20-38-98-91(93)94)81(126)105-68(40-50(3)4)87(132)112-75(53(8)119)89(134)110-73(47-117)76(92)122/h11-15,21-24,28-35,45-46,48-50,52-53,64-75,99,117-119,121H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,92,122)(H,95,100)(H,96,123)(H,97,135)(H,101,120)(H,102,124)(H,103,127)(H,104,129)(H,105,126)(H,106,130)(H,107,128)(H,108,125)(H,109,133)(H,110,134)(H,111,131)(H,112,132)(H4,93,94,98)/t52-,53-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339167
(CHEMBL1689399 | N-((4S,7S,10S,13S,16S,19S,22S,25S,...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:74.86,48.62,32.41,20.22,113.124,98.112,wD:84.100,62.75,43.45,24.30,128.134,109.116,122.130,(45.65,16.47,;44.12,16.62,;43.22,15.38,;43.85,13.98,;42.95,12.74,;41.43,12.9,;40.79,14.29,;41.69,15.54,;40.52,11.65,;38.99,11.65,;38.51,10.19,;39.76,9.29,;41,10.19,;39.76,7.76,;41.09,6.97,;38.43,6.97,;38.43,5.43,;37.1,4.66,;37.1,3.13,;35.77,2.36,;35.78,.82,;34.44,.05,;33.11,.81,;33.11,2.36,;31.77,.04,;31.77,-1.5,;33.11,-2.27,;33.11,-3.81,;34.45,-1.5,;30.43,.81,;29.09,.04,;29.09,-1.5,;27.76,.81,;27.76,2.35,;29.09,3.13,;29.09,4.66,;30.42,5.44,;30.41,6.97,;31.74,7.75,;29.08,7.74,;26.43,.03,;25.09,.81,;25.09,2.35,;23.75,.03,;23.75,-1.51,;22.42,.8,;21.08,.03,;21.08,-1.51,;19.75,.8,;19.75,2.35,;21.08,3.11,;22.49,2.49,;23.52,3.64,;22.74,4.97,;23.22,6.44,;22.19,7.59,;20.68,7.27,;20.2,5.8,;21.24,4.65,;18.41,.02,;17.08,.8,;17.08,2.34,;15.74,.02,;15.74,-1.52,;17.08,-2.29,;18.41,-1.52,;19.75,-2.28,;19.75,-3.83,;21.09,-4.59,;18.42,-4.6,;17.08,-3.83,;14.4,.79,;13.07,.02,;13.07,-1.52,;11.74,.79,;11.74,2.33,;13.07,3.1,;14.48,2.48,;15.5,3.63,;14.73,4.97,;13.22,4.64,;10.4,.02,;9.07,.78,;9.07,2.33,;7.73,.01,;7.73,-1.53,;6.4,-2.3,;6.4,-3.83,;5.07,-4.6,;5.07,-6.14,;3.74,-6.91,;2.41,-6.14,;3.75,-8.45,;2.42,-9.22,;5.08,-9.21,;6.39,.78,;5.05,.01,;5.05,-1.53,;3.72,.78,;3.72,2.32,;5.05,3.1,;6.39,2.33,;7.73,3.1,;7.72,4.64,;6.39,5.41,;5.05,4.64,;2.38,0,;1.05,.78,;1.05,2.32,;-.29,.01,;-1.62,.77,;-2.96,.01,;-2.96,-1.54,;-4.3,.77,;-4.3,2.32,;-2.97,3.08,;-2.97,4.63,;-1.63,2.32,;-5.63,0,;-6.96,.77,;-8.29,0,;-6.96,2.31,;-.29,-1.54,;-1.62,-2.31,;1.05,-2.31,;37.11,.05,;37.11,-1.49,;38.45,.82,;39.78,.05,;39.78,-1.49,;41.12,-2.26,;41.12,.83,;42.46,.05,;41.12,2.37,)| Show InChI InChI=1S/C90H125N25O19/c1-49(2)39-67(101-54(9)118)87(131)111-74(53(8)117)88(132)109-70(41-55-21-12-11-13-22-55)84(128)104-64(25-16-18-36-95-77(121)51(5)6)79(123)108-72(44-58-46-94-48-99-58)86(130)106-69(42-56-28-32-60(119)33-29-56)85(129)107-71(43-57-45-98-63-24-15-14-23-62(57)63)82(126)100-52(7)78(122)102-66(27-20-38-97-90(92)93)80(124)105-68(40-50(3)4)83(127)103-65(81(125)110-73(47-116)75(91)120)26-17-19-37-96-89(133)76-112-114-115(113-76)59-30-34-61(134-10)35-31-59/h11-15,21-24,28-35,45-46,48-50,52-53,64-74,98,116-117,119H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,91,120)(H,94,99)(H,95,121)(H,96,133)(H,100,126)(H,101,118)(H,102,122)(H,103,127)(H,104,128)(H,105,124)(H,106,130)(H,107,129)(H,108,123)(H,109,132)(H,110,125)(H,111,131)(H4,92,93,97)/t52-,53+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339179
((8S,11S,14S,17S,20S,23S,26S,29S)-26-((1H-imidazol-...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C77H108N18O20/c1-40(2)30-56(85-45(8)99)76(114)95-65(43(6)97)77(115)93-59(32-46-16-10-9-11-17-46)73(111)88-55(26-28-64(102)103)70(108)92-61(35-49-37-80-39-83-49)75(113)90-58(33-47-21-23-50(100)24-22-47)74(112)91-60(34-48-36-82-52-19-13-12-18-51(48)52)71(109)84-42(5)67(105)86-54(25-27-63(78)101)69(107)89-57(31-41(3)4)72(110)87-53(20-14-15-29-81-44(7)98)68(106)94-62(38-96)66(79)104/h9-13,16-19,21-24,36-37,39-43,53-62,65,82,96-97,100H,14-15,20,25-35,38H2,1-8H3,(H2,78,101)(H2,79,104)(H,80,83)(H,81,98)(H,84,109)(H,85,99)(H,86,105)(H,87,110)(H,88,111)(H,89,107)(H,90,113)(H,91,112)(H,92,108)(H,93,115)(H,94,106)(H,95,114)(H,102,103)/t42-,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339174
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-17-((1H-indol-3...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C75H108N16O21/c1-38(2)31-54(81-44(9)96)72(109)90-62(41(6)93)74(111)88-57(33-45-17-11-10-12-18-45)70(107)84-53(27-29-61(99)100)67(104)83-51(21-15-16-30-78-43(8)95)66(103)86-56(34-46-22-24-48(97)25-23-46)71(108)87-58(35-47-36-79-50-20-14-13-19-49(47)50)69(106)80-40(5)65(102)82-52(26-28-60(76)98)68(105)85-55(32-39(3)4)73(110)91-63(42(7)94)75(112)89-59(37-92)64(77)101/h10-14,17-20,22-25,36,38-42,51-59,62-63,79,92-94,97H,15-16,21,26-35,37H2,1-9H3,(H2,76,98)(H2,77,101)(H,78,95)(H,80,106)(H,81,96)(H,82,102)(H,83,104)(H,84,107)(H,85,105)(H,86,103)(H,87,108)(H,88,111)(H,89,112)(H,90,109)(H,91,110)(H,99,100)/t40-,41+,42+,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339166
(CHEMBL1689398)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C89H121N23O20/c1-48(2)38-66(98-53(9)115)87(129)108-74(52(8)114)88(130)106-69(40-54-20-12-11-13-21-54)84(126)101-63(24-16-18-36-93-77(119)50(5)6)79(121)105-71(43-57-45-92-47-96-57)86(128)103-68(41-55-26-30-59(116)31-27-55)85(127)104-70(42-56-44-95-62-23-15-14-22-61(56)62)82(124)97-51(7)78(120)99-65(34-35-73(90)117)81(123)102-67(39-49(3)4)83(125)100-64(80(122)107-72(46-113)75(91)118)25-17-19-37-94-89(131)76-109-111-112(110-76)58-28-32-60(132-10)33-29-58/h11-15,20-23,26-33,44-45,47-49,51-52,63-72,74,95,113-114,116H,5,16-19,24-25,34-43,46H2,1-4,6-10H3,(H2,90,117)(H2,91,118)(H,92,96)(H,93,119)(H,94,131)(H,97,124)(H,98,115)(H,99,120)(H,100,125)(H,101,126)(H,102,123)(H,103,128)(H,104,127)(H,105,121)(H,106,130)(H,107,122)(H,108,129)/t51-,52+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339164
(CHEMBL1689396 | N-((4S,7S,10S,13S,16S,19S,22S,25S)...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(N)=O |r,wU:50.62,24.38,104.110,123.129,89.100,74.88,wD:38.51,20.22,115.121,134.140,85.92,98.106,60.76,(27.19,-12.86,;28.72,-13.01,;29.62,-11.76,;29,-10.36,;29.9,-9.11,;31.43,-9.27,;32.06,-10.67,;31.16,-11.92,;32.33,-8.03,;33.87,-8.03,;34.35,-6.56,;33.1,-5.66,;31.86,-6.56,;33.09,-4.12,;34.43,-3.34,;31.76,-3.35,;31.76,-1.81,;30.42,-1.04,;30.42,.5,;29.09,1.27,;29.08,2.81,;27.75,3.58,;26.42,2.8,;26.42,1.27,;25.09,3.57,;25.09,5.12,;26.42,5.88,;27.82,5.26,;28.85,6.41,;28.08,7.75,;28.55,9.21,;27.52,10.36,;26.02,10.04,;25.54,8.57,;26.57,7.42,;23.75,2.8,;22.42,3.57,;22.42,5.11,;21.08,2.79,;21.08,1.26,;22.42,.49,;23.75,1.26,;25.09,.5,;25.09,-1.04,;26.42,-1.81,;23.76,-1.82,;22.42,-1.05,;19.75,3.57,;18.41,2.8,;18.41,1.25,;17.09,3.56,;17.09,5.11,;18.41,5.88,;19.82,5.25,;20.85,6.4,;20.07,7.74,;18.57,7.41,;15.75,2.79,;14.41,3.56,;14.41,5.1,;13.08,2.79,;13.08,1.25,;14.42,.48,;14.42,-1.06,;15.75,-1.83,;15.76,-3.37,;17.09,-4.14,;18.42,-3.37,;17.09,-5.68,;18.43,-6.45,;15.76,-6.45,;11.75,3.55,;10.41,2.78,;10.41,1.25,;9.08,3.55,;9.08,5.09,;10.41,5.86,;11.74,5.1,;13.08,5.87,;13.07,7.41,;11.74,8.19,;10.41,7.41,;7.74,2.78,;6.41,3.55,;6.41,5.09,;5.08,2.78,;3.74,3.55,;2.41,2.78,;2.41,1.24,;1.08,3.55,;1.08,5.09,;2.41,5.85,;2.41,7.4,;3.74,5.09,;-.26,2.78,;-1.59,3.55,;-2.93,2.78,;-1.59,5.09,;5.08,1.24,;3.75,.47,;6.41,.47,;30.42,3.58,;30.42,5.12,;31.75,2.81,;33.09,3.58,;33.09,5.12,;34.42,5.89,;34.42,7.44,;35.75,8.21,;35.75,9.76,;34.41,10.53,;37.08,10.53,;34.42,2.81,;34.42,1.28,;35.76,3.58,;37.09,2.82,;37.09,1.28,;38.42,.51,;38.42,-1.03,;39.76,1.28,;38.42,3.59,;38.42,5.13,;39.75,2.82,;41.09,3.59,;41.09,5.13,;42.43,5.9,;42.43,7.44,;43.77,8.22,;43.77,9.76,;45.1,10.53,;42.43,10.52,;42.42,2.83,;42.42,1.28,;43.76,3.6,;45.09,2.82,;45.09,1.29,;46.42,.52,;46.42,3.6,;47.75,2.83,;46.42,5.14,)| Show InChI InChI=1S/C93H132N28O19/c1-51(2)41-69(106-55(8)124)89(137)117-76(54(7)123)90(138)115-72(43-56-21-11-10-12-22-56)85(133)108-66(26-15-17-37-100-79(127)53(5)6)81(129)114-74(46-59-48-99-50-105-59)88(136)112-71(44-57-29-33-61(125)34-30-57)86(134)113-73(45-58-47-104-64-24-14-13-23-63(58)64)87(135)109-65(25-16-18-38-101-91(139)78-118-120-121(119-78)60-31-35-62(140-9)36-32-60)80(128)107-67(27-19-39-102-92(95)96)82(130)111-70(42-52(3)4)84(132)110-68(28-20-40-103-93(97)98)83(131)116-75(49-122)77(94)126/h10-14,21-24,29-36,47-48,50-52,54,65-76,104,122-123,125H,5,15-20,25-28,37-46,49H2,1-4,6-9H3,(H2,94,126)(H,99,105)(H,100,127)(H,101,139)(H,106,124)(H,107,128)(H,108,133)(H,109,135)(H,110,132)(H,111,130)(H,112,136)(H,113,134)(H,114,129)(H,115,138)(H,116,131)(H,117,137)(H4,95,96,102)(H4,97,98,103)/t54-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339170
(CHEMBL1689402)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:52.66,32.39,20.22,118.128,103.116,78.90,wD:41.50,24.30,133.138,114.120,127.134,89.104,66.79,(48.94,2.99,;47.41,3.14,;46.51,1.9,;47.14,.51,;46.24,-.74,;44.71,-.58,;44.08,.81,;44.97,2.06,;43.81,-1.83,;42.27,-1.83,;41.8,-3.28,;43.05,-4.19,;44.29,-3.3,;43.05,-5.73,;44.38,-6.5,;41.72,-6.5,;41.72,-8.04,;40.39,-8.81,;40.39,-10.35,;39.06,-11.12,;39.06,-12.66,;37.72,-13.43,;36.39,-12.66,;36.39,-11.11,;35.06,-13.43,;35.06,-14.97,;36.39,-15.74,;36.39,-17.28,;37.73,-14.97,;33.72,-12.67,;32.38,-13.44,;32.38,-14.98,;31.05,-12.66,;31.05,-11.12,;32.38,-10.35,;32.38,-8.8,;31.04,-8.03,;33.72,-8.04,;29.71,-13.44,;28.38,-12.67,;28.38,-11.13,;27.04,-13.44,;27.04,-14.98,;28.37,-15.75,;28.37,-17.29,;29.7,-18.05,;29.7,-19.59,;31.03,-20.36,;28.37,-20.36,;25.71,-12.67,;24.37,-13.44,;24.37,-14.98,;23.03,-12.68,;23.03,-11.13,;24.37,-10.36,;25.77,-10.98,;26.81,-9.83,;26.03,-8.5,;26.51,-7.02,;25.47,-5.89,;23.97,-6.22,;23.49,-7.68,;24.52,-8.82,;21.69,-13.45,;20.37,-12.68,;20.37,-11.13,;19.03,-13.45,;19.03,-14.99,;20.37,-15.77,;21.7,-14.99,;23.04,-15.76,;23.04,-17.3,;24.37,-18.07,;21.71,-18.07,;20.37,-17.31,;17.69,-12.68,;16.36,-13.45,;16.36,-14.99,;15.02,-12.69,;15.02,-11.14,;16.35,-10.37,;16.35,-8.84,;17.68,-8.07,;17.68,-6.53,;19.02,-5.76,;16.35,-5.76,;13.68,-13.46,;12.35,-12.69,;12.35,-11.14,;11.02,-13.46,;11.02,-15,;9.69,-15.77,;9.69,-17.31,;8.36,-18.08,;8.36,-19.61,;7.03,-20.38,;5.7,-19.62,;7.03,-21.92,;5.7,-22.69,;8.37,-22.69,;9.68,-12.7,;8.34,-13.47,;8.34,-15.01,;7.01,-12.69,;7.01,-11.15,;8.34,-10.38,;9.67,-11.15,;11.01,-10.37,;11.01,-8.83,;9.67,-8.06,;8.33,-8.83,;5.67,-13.47,;4.34,-12.7,;4.34,-11.16,;3,-13.47,;1.67,-12.7,;.32,-13.47,;.32,-15.01,;-1.01,-12.7,;-1.01,-11.16,;.32,-10.39,;.32,-8.84,;1.66,-11.16,;-2.35,-13.47,;-3.68,-12.7,;-5.01,-13.47,;-3.67,-11.16,;3,-15.01,;1.67,-15.78,;4.34,-15.78,;40.4,-13.42,;40.4,-14.96,;41.74,-12.65,;43.07,-13.42,;43.07,-14.96,;44.41,-15.74,;44.41,-12.65,;45.74,-13.42,;44.41,-11.1,)| Show InChI InChI=1S/C92H133N27O20/c1-50(2)43-68(104-54(8)122)88(136)115-75(53(7)121)89(137)113-71(45-55-21-11-10-12-22-55)85(133)107-63(25-15-17-39-99-78(126)52(5)6)79(127)105-66(28-20-42-102-92(97)98)81(129)111-70(46-56-29-33-59(123)34-30-56)86(134)112-72(47-57-48-103-62-24-14-13-23-61(57)62)87(135)108-65(27-19-41-101-91(95)96)80(128)109-67(37-38-74(93)124)83(131)110-69(44-51(3)4)84(132)106-64(82(130)114-73(49-120)76(94)125)26-16-18-40-100-90(138)77-116-118-119(117-77)58-31-35-60(139-9)36-32-58/h10-14,21-24,29-36,48,50-51,53,63-73,75,103,120-121,123H,5,15-20,25-28,37-47,49H2,1-4,6-9H3,(H2,93,124)(H2,94,125)(H,99,126)(H,100,138)(H,104,122)(H,105,127)(H,106,132)(H,107,133)(H,108,135)(H,109,128)(H,110,131)(H,111,129)(H,112,134)(H,113,137)(H,114,130)(H,115,136)(H4,95,96,101)(H4,97,98,102)/t53-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,75+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339162
((2S)-2-((8S,11S,14S,17S,20S)-17-((1H-imidazol-5-yl...)Show SMILES COc1ccc(cc1)N1N=C2CC1(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCCNC2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,c:10| Show InChI InChI=1S/C90H123N21O21/c1-48(2)37-65(98-52(7)115)85(127)108-74(50(5)113)87(129)106-68(39-53-19-11-10-12-20-53)81(123)99-63-24-16-18-36-95-89(131)90(8)43-71(110-111(90)57-27-31-59(132-9)32-28-57)77(119)94-35-17-15-23-62(78(120)101-64(33-34-73(91)117)80(122)102-66(38-49(3)4)86(128)109-75(51(6)114)88(130)107-72(46-112)76(92)118)100-83(125)69(41-55-44-96-61-22-14-13-21-60(55)61)104-82(124)67(40-54-25-29-58(116)30-26-54)103-84(126)70(105-79(63)121)42-56-45-93-47-97-56/h10-14,19-22,25-32,44-45,47-51,62-70,72,74-75,96,112-114,116H,15-18,23-24,33-43,46H2,1-9H3,(H2,91,117)(H2,92,118)(H,93,97)(H,94,119)(H,95,131)(H,98,115)(H,99,123)(H,100,125)(H,101,120)(H,102,122)(H,103,126)(H,104,124)(H,105,121)(H,106,129)(H,107,130)(H,108,127)(H,109,128)/t50-,51-,62+,63+,64+,65+,66+,67+,68+,69+,70+,72+,74+,75+,90?/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339161
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C73H101N17O20/c1-36(2)26-51(80-41(8)94)70(107)89-60(39(6)92)72(109)87-54(28-42-14-10-9-11-15-42)67(104)82-50(23-25-59(97)98)65(102)86-56(31-45-33-76-35-78-45)69(106)84-53(29-43-18-20-46(95)21-19-43)68(105)85-55(30-44-32-77-48-17-13-12-16-47(44)48)66(103)79-38(5)63(100)81-49(22-24-58(74)96)64(101)83-52(27-37(3)4)71(108)90-61(40(7)93)73(110)88-57(34-91)62(75)99/h9-21,32-33,35-40,49-57,60-61,77,91-93,95H,22-31,34H2,1-8H3,(H2,74,96)(H2,75,99)(H,76,78)(H,79,103)(H,80,94)(H,81,100)(H,82,104)(H,83,101)(H,84,106)(H,85,105)(H,86,102)(H,87,109)(H,88,110)(H,89,107)(H,90,108)(H,97,98)/t38-,39+,40+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339169
(CHEMBL1689401 | N-((4S,7S,10S,13S,16S,19S,22S,25S,...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:48.62,32.41,20.22,114.124,99.112,74.86,wD:62.75,43.45,24.30,129.134,110.116,123.130,85.100,(46.88,-25.17,;45.35,-25.02,;44.45,-26.26,;45.08,-27.67,;44.18,-28.91,;42.65,-28.75,;42.02,-27.35,;42.91,-26.11,;41.75,-29.99,;40.21,-30,;39.74,-31.46,;40.99,-32.36,;42.23,-31.45,;40.99,-33.9,;42.32,-34.66,;39.66,-34.67,;39.66,-36.2,;38.33,-36.97,;38.33,-38.51,;37,-39.28,;37,-40.82,;35.66,-41.59,;34.33,-40.82,;34.33,-39.27,;33,-41.59,;33,-43.13,;34.33,-43.91,;34.33,-45.45,;35.67,-43.13,;31.66,-40.83,;30.32,-41.6,;30.32,-43.14,;28.99,-40.83,;28.99,-39.28,;30.32,-38.51,;30.32,-36.97,;31.64,-36.2,;31.64,-34.66,;32.97,-33.89,;30.3,-33.9,;27.65,-41.6,;26.32,-40.83,;26.32,-39.29,;24.98,-41.6,;24.98,-43.14,;23.65,-40.84,;22.31,-41.61,;22.31,-43.15,;20.97,-40.84,;20.97,-39.29,;22.31,-38.53,;23.71,-39.15,;24.75,-38,;23.97,-36.66,;24.45,-35.2,;23.41,-34.05,;21.91,-34.37,;21.43,-35.84,;22.46,-36.99,;19.63,-41.61,;18.31,-40.84,;18.31,-39.3,;16.97,-41.62,;16.97,-43.16,;18.31,-43.93,;19.64,-43.15,;20.98,-43.92,;20.98,-45.46,;22.31,-46.23,;19.65,-46.23,;18.31,-45.47,;15.63,-40.84,;14.3,-41.61,;14.3,-43.15,;12.96,-40.85,;12.96,-39.31,;14.3,-38.53,;14.3,-37,;15.63,-36.23,;15.63,-34.69,;16.96,-33.92,;14.29,-33.92,;11.62,-41.62,;10.29,-40.85,;10.29,-39.3,;8.96,-41.62,;8.96,-43.16,;7.63,-43.93,;7.63,-45.47,;6.3,-46.24,;6.3,-47.78,;4.97,-48.55,;3.64,-47.78,;4.97,-50.08,;3.64,-50.85,;6.31,-50.85,;7.62,-40.86,;6.28,-41.63,;6.28,-43.17,;4.95,-40.86,;4.95,-39.31,;6.28,-38.54,;7.61,-39.31,;8.95,-38.54,;8.95,-36.99,;7.61,-36.23,;6.27,-37,;3.61,-41.63,;2.27,-40.86,;2.27,-39.32,;.94,-41.63,;-.39,-40.86,;-1.74,-41.63,;-1.74,-43.18,;-3.07,-40.86,;-3.07,-39.32,;-1.74,-38.55,;-1.74,-37,;-.4,-39.32,;-4.41,-41.63,;-5.74,-40.87,;-7.07,-41.64,;-5.74,-39.33,;.94,-43.17,;-.39,-43.95,;2.28,-43.94,;38.34,-41.58,;38.34,-43.12,;39.68,-40.81,;41.01,-41.59,;41.01,-43.13,;42.35,-43.9,;42.35,-40.81,;43.68,-41.58,;42.35,-39.27,)| Show InChI InChI=1S/C90H130N26O19/c1-49(2)42-67(102-54(9)119)86(132)112-73(53(8)118)87(133)110-70(44-55-22-12-11-13-23-55)84(130)106-63(26-16-18-38-96-76(122)51(5)6)78(124)104-66(29-21-41-99-90(94)95)80(126)108-69(45-56-30-34-59(120)35-31-56)85(131)109-71(46-57-47-100-62-25-15-14-24-61(57)62)82(128)101-52(7)77(123)103-65(28-20-40-98-89(92)93)79(125)107-68(43-50(3)4)83(129)105-64(81(127)111-72(48-117)74(91)121)27-17-19-39-97-88(134)75-113-115-116(114-75)58-32-36-60(135-10)37-33-58/h11-15,22-25,30-37,47,49-50,52-53,63-73,100,117-118,120H,5,16-21,26-29,38-46,48H2,1-4,6-10H3,(H2,91,121)(H,96,122)(H,97,134)(H,101,128)(H,102,119)(H,103,123)(H,104,124)(H,105,129)(H,106,130)(H,107,125)(H,108,126)(H,109,131)(H,110,133)(H,111,127)(H,112,132)(H4,92,93,98)(H4,94,95,99)/t52-,53+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339171
(CHEMBL1689403)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:52.67,32.39,20.22,119.129,104.117,79.91,wD:41.50,24.30,134.139,115.121,128.135,90.105,67.80,(48.16,1.75,;46.63,1.9,;45.73,.66,;46.36,-.75,;45.46,-1.99,;43.93,-1.83,;43.3,-.43,;44.19,.81,;43.03,-3.07,;41.49,-3.08,;41.02,-4.54,;42.27,-5.44,;43.51,-4.54,;42.27,-6.98,;43.6,-7.74,;40.94,-7.75,;40.94,-9.29,;39.61,-10.06,;39.61,-11.59,;38.28,-12.36,;38.28,-13.9,;36.95,-14.67,;35.62,-13.91,;35.62,-12.36,;34.28,-14.68,;34.28,-16.22,;35.62,-16.99,;35.62,-18.53,;36.95,-16.22,;32.94,-13.91,;31.6,-14.68,;31.6,-16.22,;30.27,-13.91,;30.27,-12.37,;31.6,-11.59,;31.6,-10.05,;30.26,-9.28,;32.94,-9.28,;28.93,-14.69,;27.6,-13.91,;27.6,-12.37,;26.26,-14.68,;26.26,-16.22,;27.59,-16.99,;27.59,-18.53,;28.92,-19.3,;28.92,-20.84,;30.25,-21.6,;27.59,-21.6,;24.93,-13.92,;23.59,-14.69,;23.59,-16.23,;22.25,-13.92,;22.25,-12.37,;23.59,-11.61,;25,-12.23,;26.03,-11.08,;25.25,-9.74,;25.73,-8.28,;24.7,-7.14,;25.17,-5.67,;23.19,-7.45,;22.71,-8.92,;23.74,-10.07,;20.92,-14.69,;19.59,-13.92,;19.59,-12.38,;18.25,-14.7,;18.25,-16.24,;19.59,-17.01,;20.92,-16.23,;22.26,-17,;22.26,-18.54,;23.59,-19.31,;20.93,-19.32,;19.59,-18.55,;16.91,-13.93,;15.58,-14.7,;15.58,-16.24,;14.24,-13.93,;14.24,-12.39,;15.57,-11.62,;15.57,-10.08,;16.91,-9.31,;16.91,-7.78,;18.24,-7.01,;15.57,-7.01,;12.91,-14.7,;11.58,-13.94,;11.58,-12.39,;10.24,-14.71,;10.24,-16.24,;8.91,-17.01,;8.91,-18.55,;7.58,-19.32,;7.58,-20.86,;6.25,-21.63,;4.92,-20.86,;6.25,-23.17,;4.92,-23.94,;7.59,-23.93,;8.9,-13.94,;7.56,-14.71,;7.56,-16.25,;6.23,-13.94,;6.23,-12.4,;7.56,-11.62,;8.89,-12.39,;10.23,-11.62,;10.23,-10.07,;8.9,-9.31,;7.56,-10.08,;4.89,-14.72,;3.56,-13.94,;3.56,-12.4,;2.22,-14.71,;.89,-13.94,;-.45,-14.71,;-.45,-16.26,;-1.79,-13.94,;-1.79,-12.4,;-.46,-11.64,;-.46,-10.09,;.88,-12.4,;-3.12,-14.71,;-4.45,-13.95,;-5.79,-14.71,;-4.45,-12.41,;2.22,-16.25,;.89,-17.03,;3.56,-17.02,;39.62,-14.67,;39.62,-16.21,;40.96,-13.9,;42.29,-14.67,;42.29,-16.21,;43.63,-16.98,;43.63,-13.89,;44.96,-14.66,;43.63,-12.35,)| Show InChI InChI=1S/C92H132ClN27O20/c1-49(2)41-68(105-53(8)123)88(137)116-75(52(7)122)89(138)114-71(43-54-19-11-10-12-20-54)85(134)108-62(21-13-15-37-100-78(127)51(5)6)79(128)106-65(24-18-40-103-92(98)99)81(130)112-70(44-55-25-30-59(124)31-26-55)86(135)113-72(45-56-47-104-67-46-57(93)27-34-61(56)67)87(136)109-64(23-17-39-102-91(96)97)80(129)110-66(35-36-74(94)125)83(132)111-69(42-50(3)4)84(133)107-63(82(131)115-73(48-121)76(95)126)22-14-16-38-101-90(139)77-117-119-120(118-77)58-28-32-60(140-9)33-29-58/h10-12,19-20,25-34,46-47,49-50,52,62-66,68-73,75,104,121-122,124H,5,13-18,21-24,35-45,48H2,1-4,6-9H3,(H2,94,125)(H2,95,126)(H,100,127)(H,101,139)(H,105,123)(H,106,128)(H,107,133)(H,108,134)(H,109,136)(H,110,129)(H,111,132)(H,112,130)(H,113,135)(H,114,138)(H,115,131)(H,116,137)(H4,96,97,102)(H4,98,99,103)/t52-,62+,63+,64+,65+,66+,68+,69+,70+,71+,72+,73+,75+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339173
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C77H108N18O20/c1-40(2)30-56(85-45(8)99)72(110)87-53(20-14-15-29-81-44(7)98)68(106)90-58(32-46-16-10-9-11-17-46)73(111)88-55(26-28-64(102)103)70(108)93-61(35-49-37-80-39-83-49)75(113)91-59(33-47-21-23-50(100)24-22-47)74(112)92-60(34-48-36-82-52-19-13-12-18-51(48)52)71(109)84-42(5)67(105)86-54(25-27-63(78)101)69(107)89-57(31-41(3)4)76(114)95-65(43(6)97)77(115)94-62(38-96)66(79)104/h9-13,16-19,21-24,36-37,39-43,53-62,65,82,96-97,100H,14-15,20,25-35,38H2,1-8H3,(H2,78,101)(H2,79,104)(H,80,83)(H,81,98)(H,84,109)(H,85,99)(H,86,105)(H,87,110)(H,88,111)(H,89,107)(H,90,106)(H,91,113)(H,92,112)(H,93,108)(H,94,115)(H,95,114)(H,102,103)/t42-,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339175
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C72H106N18O20/c1-36(2)27-51(80-42(9)95)69(107)89-59(39(6)92)71(109)87-53(29-43-17-11-10-12-18-43)67(105)83-50(23-25-58(97)98)65(103)86-55(31-45-33-75-35-78-45)68(106)82-48(21-15-16-26-76-41(8)94)63(101)85-54(30-44-32-77-47-20-14-13-19-46(44)47)66(104)79-38(5)62(100)81-49(22-24-57(73)96)64(102)84-52(28-37(3)4)70(108)90-60(40(7)93)72(110)88-56(34-91)61(74)99/h10-14,17-20,32-33,35-40,48-56,59-60,77,91-93H,15-16,21-31,34H2,1-9H3,(H2,73,96)(H2,74,99)(H,75,78)(H,76,94)(H,79,104)(H,80,95)(H,81,100)(H,82,106)(H,83,105)(H,84,102)(H,85,101)(H,86,103)(H,87,109)(H,88,110)(H,89,107)(H,90,108)(H,97,98)/t38-,39+,40+,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339165
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-17-((1H-indol-3...)Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C87H120N20O22/c1-46(2)39-64(93-52(10)111)83(124)102-71(50(8)109)85(126)100-67(41-53-21-13-12-14-22-53)81(122)96-63(35-36-70(113)114)79(120)95-62(26-17-19-37-89-75(116)48(5)6)78(119)98-66(42-54-27-31-57(112)32-28-54)82(123)99-68(43-55-44-91-60-24-16-15-23-59(55)60)80(121)92-49(7)76(117)94-61(25-18-20-38-90-87(128)74-104-106-107(105-74)56-29-33-58(129-11)34-30-56)77(118)97-65(40-47(3)4)84(125)103-72(51(9)110)86(127)101-69(45-108)73(88)115/h12-16,21-24,27-34,44,46-47,49-51,61-69,71-72,91,108-110,112H,5,17-20,25-26,35-43,45H2,1-4,6-11H3,(H2,88,115)(H,89,116)(H,90,128)(H,92,121)(H,93,111)(H,94,117)(H,95,120)(H,96,122)(H,97,118)(H,98,119)(H,99,123)(H,100,126)(H,101,127)(H,102,124)(H,103,125)(H,113,114)/t49-,50+,51+,61-,62-,63-,64-,65-,66-,67-,68-,69-,71-,72-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50339172
(CHEMBL1689404 | N3-((4S,7S,10S,13S,16S,19S,22S,25S...)Show SMILES COc1ccc(cc1)N1N=C(CC1C(N)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:104.117,81.93,55.69,35.42,23.25,119.129,wD:128.135,92.105,69.82,44.53,27.33,134.139,115.121,c:10,(49.35,-21.21,;47.82,-21.05,;46.92,-22.29,;47.55,-23.7,;46.65,-24.94,;45.12,-24.77,;44.49,-23.38,;45.39,-22.14,;44.22,-26.01,;44.69,-27.47,;43.45,-28.38,;42.21,-27.47,;42.68,-26.01,;41.78,-24.77,;40.25,-24.93,;42.4,-23.37,;43.45,-29.91,;44.78,-30.68,;42.12,-30.68,;42.12,-32.23,;40.79,-32.99,;40.79,-34.53,;39.46,-35.31,;39.46,-36.85,;38.12,-37.62,;36.79,-36.85,;36.79,-35.31,;35.46,-37.62,;35.46,-39.16,;36.79,-39.93,;36.79,-41.47,;38.13,-39.16,;34.12,-36.86,;32.79,-37.63,;32.79,-39.16,;31.46,-36.86,;31.46,-35.31,;32.79,-34.55,;32.79,-33,;31.45,-32.23,;34.12,-32.23,;30.12,-37.63,;28.78,-36.87,;28.78,-35.32,;27.45,-37.64,;27.45,-39.17,;28.78,-39.94,;28.78,-41.48,;30.12,-42.25,;30.12,-43.79,;28.79,-44.56,;31.46,-44.56,;26.12,-36.86,;24.78,-37.64,;24.78,-39.17,;23.45,-36.87,;23.45,-35.33,;24.78,-34.55,;26.19,-35.18,;27.21,-34.03,;26.44,-32.7,;26.92,-31.23,;25.89,-30.09,;24.38,-30.41,;23.9,-31.87,;24.94,-33.02,;22.11,-37.64,;20.78,-36.87,;20.78,-35.33,;19.45,-37.64,;19.45,-39.18,;20.78,-39.95,;22.12,-39.18,;23.45,-39.95,;23.45,-41.48,;24.79,-42.26,;22.12,-42.26,;20.79,-41.49,;18.11,-36.88,;16.77,-37.65,;16.77,-39.19,;15.45,-36.88,;15.45,-35.34,;16.77,-34.57,;16.77,-33.02,;18.11,-32.26,;18.11,-30.71,;16.77,-29.94,;19.44,-29.94,;14.11,-37.65,;12.77,-36.88,;12.77,-35.34,;11.44,-37.65,;11.44,-39.19,;12.77,-39.97,;12.77,-41.5,;14.12,-42.28,;14.12,-43.81,;12.79,-44.58,;12.79,-46.12,;11.46,-43.81,;10.11,-36.89,;8.77,-37.66,;8.77,-39.19,;7.44,-36.89,;7.44,-35.34,;8.77,-34.58,;10.1,-35.35,;11.44,-34.57,;11.44,-33.03,;10.1,-32.26,;8.77,-33.03,;6.1,-37.66,;4.77,-36.9,;4.77,-35.35,;3.44,-37.66,;2.1,-36.9,;.76,-37.67,;.76,-39.2,;-.57,-36.89,;-.57,-35.36,;.76,-34.58,;.76,-33.04,;2.1,-35.36,;-1.9,-37.67,;-3.23,-36.89,;-4.56,-37.66,;-3.23,-35.36,;3.44,-39.2,;2.11,-39.97,;4.77,-39.97,;40.79,-37.62,;40.79,-39.16,;42.13,-36.85,;43.46,-37.61,;43.46,-39.15,;44.8,-39.92,;44.8,-36.84,;46.13,-37.61,;44.8,-35.3,)| Show InChI InChI=1S/C93H136N26O21/c1-50(2)42-68(106-54(7)123)90(138)117-77(52(5)121)91(139)115-71(44-55-20-10-9-11-21-55)87(135)109-63(24-14-16-38-101-53(6)122)81(129)107-66(27-19-41-104-93(99)100)83(131)113-70(45-56-28-32-59(124)33-29-56)88(136)114-72(46-57-48-105-62-23-13-12-22-61(57)62)89(137)110-65(26-18-40-103-92(97)98)82(130)111-67(36-37-76(94)125)85(133)112-69(43-51(3)4)86(134)108-64(84(132)116-74(49-120)78(95)126)25-15-17-39-102-80(128)73-47-75(79(96)127)119(118-73)58-30-34-60(140-8)35-31-58/h9-13,20-23,28-35,48,50-52,63-72,74-75,77,105,120-121,124H,14-19,24-27,36-47,49H2,1-8H3,(H2,94,125)(H2,95,126)(H2,96,127)(H,101,122)(H,102,128)(H,106,123)(H,107,129)(H,108,134)(H,109,135)(H,110,137)(H,111,130)(H,112,133)(H,113,131)(H,114,136)(H,115,139)(H,116,132)(H,117,138)(H4,97,98,103)(H4,99,100,104)/t52-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,74+,75?,77+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339175
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C72H106N18O20/c1-36(2)27-51(80-42(9)95)69(107)89-59(39(6)92)71(109)87-53(29-43-17-11-10-12-18-43)67(105)83-50(23-25-58(97)98)65(103)86-55(31-45-33-75-35-78-45)68(106)82-48(21-15-16-26-76-41(8)94)63(101)85-54(30-44-32-77-47-20-14-13-19-46(44)47)66(104)79-38(5)62(100)81-49(22-24-57(73)96)64(102)84-52(28-37(3)4)70(108)90-60(40(7)93)72(110)88-56(34-91)61(74)99/h10-14,17-20,32-33,35-40,48-56,59-60,77,91-93H,15-16,21-31,34H2,1-9H3,(H2,73,96)(H2,74,99)(H,75,78)(H,76,94)(H,79,104)(H,80,95)(H,81,100)(H,82,106)(H,83,105)(H,84,102)(H,85,101)(H,86,103)(H,87,109)(H,88,110)(H,89,107)(H,90,108)(H,97,98)/t38-,39+,40+,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
Protein Mdm4
(Homo sapiens (Human)) | BDBM50339172
(CHEMBL1689404 | N3-((4S,7S,10S,13S,16S,19S,22S,25S...)Show SMILES COc1ccc(cc1)N1N=C(CC1C(N)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:104.117,81.93,55.69,35.42,23.25,119.129,wD:128.135,92.105,69.82,44.53,27.33,134.139,115.121,c:10,(49.35,-21.21,;47.82,-21.05,;46.92,-22.29,;47.55,-23.7,;46.65,-24.94,;45.12,-24.77,;44.49,-23.38,;45.39,-22.14,;44.22,-26.01,;44.69,-27.47,;43.45,-28.38,;42.21,-27.47,;42.68,-26.01,;41.78,-24.77,;40.25,-24.93,;42.4,-23.37,;43.45,-29.91,;44.78,-30.68,;42.12,-30.68,;42.12,-32.23,;40.79,-32.99,;40.79,-34.53,;39.46,-35.31,;39.46,-36.85,;38.12,-37.62,;36.79,-36.85,;36.79,-35.31,;35.46,-37.62,;35.46,-39.16,;36.79,-39.93,;36.79,-41.47,;38.13,-39.16,;34.12,-36.86,;32.79,-37.63,;32.79,-39.16,;31.46,-36.86,;31.46,-35.31,;32.79,-34.55,;32.79,-33,;31.45,-32.23,;34.12,-32.23,;30.12,-37.63,;28.78,-36.87,;28.78,-35.32,;27.45,-37.64,;27.45,-39.17,;28.78,-39.94,;28.78,-41.48,;30.12,-42.25,;30.12,-43.79,;28.79,-44.56,;31.46,-44.56,;26.12,-36.86,;24.78,-37.64,;24.78,-39.17,;23.45,-36.87,;23.45,-35.33,;24.78,-34.55,;26.19,-35.18,;27.21,-34.03,;26.44,-32.7,;26.92,-31.23,;25.89,-30.09,;24.38,-30.41,;23.9,-31.87,;24.94,-33.02,;22.11,-37.64,;20.78,-36.87,;20.78,-35.33,;19.45,-37.64,;19.45,-39.18,;20.78,-39.95,;22.12,-39.18,;23.45,-39.95,;23.45,-41.48,;24.79,-42.26,;22.12,-42.26,;20.79,-41.49,;18.11,-36.88,;16.77,-37.65,;16.77,-39.19,;15.45,-36.88,;15.45,-35.34,;16.77,-34.57,;16.77,-33.02,;18.11,-32.26,;18.11,-30.71,;16.77,-29.94,;19.44,-29.94,;14.11,-37.65,;12.77,-36.88,;12.77,-35.34,;11.44,-37.65,;11.44,-39.19,;12.77,-39.97,;12.77,-41.5,;14.12,-42.28,;14.12,-43.81,;12.79,-44.58,;12.79,-46.12,;11.46,-43.81,;10.11,-36.89,;8.77,-37.66,;8.77,-39.19,;7.44,-36.89,;7.44,-35.34,;8.77,-34.58,;10.1,-35.35,;11.44,-34.57,;11.44,-33.03,;10.1,-32.26,;8.77,-33.03,;6.1,-37.66,;4.77,-36.9,;4.77,-35.35,;3.44,-37.66,;2.1,-36.9,;.76,-37.67,;.76,-39.2,;-.57,-36.89,;-.57,-35.36,;.76,-34.58,;.76,-33.04,;2.1,-35.36,;-1.9,-37.67,;-3.23,-36.89,;-4.56,-37.66,;-3.23,-35.36,;3.44,-39.2,;2.11,-39.97,;4.77,-39.97,;40.79,-37.62,;40.79,-39.16,;42.13,-36.85,;43.46,-37.61,;43.46,-39.15,;44.8,-39.92,;44.8,-36.84,;46.13,-37.61,;44.8,-35.3,)| Show InChI InChI=1S/C93H136N26O21/c1-50(2)42-68(106-54(7)123)90(138)117-77(52(5)121)91(139)115-71(44-55-20-10-9-11-21-55)87(135)109-63(24-14-16-38-101-53(6)122)81(129)107-66(27-19-41-104-93(99)100)83(131)113-70(45-56-28-32-59(124)33-29-56)88(136)114-72(46-57-48-105-62-23-13-12-22-61(57)62)89(137)110-65(26-18-40-103-92(97)98)82(130)111-67(36-37-76(94)125)85(133)112-69(43-51(3)4)86(134)108-64(84(132)116-74(49-120)78(95)126)25-15-17-39-102-80(128)73-47-75(79(96)127)119(118-73)58-30-34-60(140-8)35-31-58/h9-13,20-23,28-35,48,50-52,63-72,74-75,77,105,120-121,124H,14-19,24-27,36-47,49H2,1-8H3,(H2,94,125)(H2,95,126)(H2,96,127)(H,101,122)(H,102,128)(H,106,123)(H,107,129)(H,108,134)(H,109,135)(H,110,137)(H,111,130)(H,112,133)(H,113,131)(H,114,136)(H,115,139)(H,116,132)(H,117,138)(H4,97,98,103)(H4,99,100,104)/t52-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,74+,75?,77+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this
Ligand-Target Pair | |
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