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BDBM50506490 CHEMBL4460091

SMILES: CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O

InChI Key: InChIKey=UOKUFCYHTGHLQT-BOYGMGBESA-N

Data: 2 IC50  2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50506490   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
MDM2-MDMX


(Homo sapiens (Human))		BDBM50506490
PNG
(CHEMBL4460091)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O24S7/c1-50(2)30-59(77-54(8)90)38-86(117(12,106)107)47-70(96)81-61(32-55-22-16-15-17-23-55)39-87(118(13,108)109)44-68(94)79-58(27-28-72(98)99)37-85(116(11,104)105)46-71(97)82-62(33-56-34-75-64-26-19-18-25-63(56)64)40-88(119(14,110)111)43-67(93)78-57(24-20-21-29-73)36-84(115(10,102)103)45-69(95)80-60(31-51(3)4)41-89(120(112,113)49-52(5)6)48-66(92)76-53(7)35-83(42-65(74)91)114(9,100)101/h15-19,22-23,25-26,34,50-53,57-62,75H,20-21,24,27-33,35-49,73H2,1-14H3,(H2,74,91)(H,76,92)(H,77,90)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,98,99)/t53-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay

J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))		BDBM50506490
PNG
(CHEMBL4460091)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O24S7/c1-50(2)30-59(77-54(8)90)38-86(117(12,106)107)47-70(96)81-61(32-55-22-16-15-17-23-55)39-87(118(13,108)109)44-68(94)79-58(27-28-72(98)99)37-85(116(11,104)105)46-71(97)82-62(33-56-34-75-64-26-19-18-25-63(56)64)40-88(119(14,110)111)43-67(93)78-57(24-20-21-29-73)36-84(115(10,102)103)45-69(95)80-60(31-51(3)4)41-89(120(112,113)49-52(5)6)48-66(92)76-53(7)35-83(42-65(74)91)114(9,100)101/h15-19,22-23,25-26,34,50-53,57-62,75H,20-21,24,27-33,35-49,73H2,1-14H3,(H2,74,91)(H,76,92)(H,77,90)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,98,99)/t53-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 593n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay

J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))		BDBM50506490
PNG
(CHEMBL4460091)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O24S7/c1-50(2)30-59(77-54(8)90)38-86(117(12,106)107)47-70(96)81-61(32-55-22-16-15-17-23-55)39-87(118(13,108)109)44-68(94)79-58(27-28-72(98)99)37-85(116(11,104)105)46-71(97)82-62(33-56-34-75-64-26-19-18-25-63(56)64)40-88(119(14,110)111)43-67(93)78-57(24-20-21-29-73)36-84(115(10,102)103)45-69(95)80-60(31-51(3)4)41-89(120(112,113)49-52(5)6)48-66(92)76-53(7)35-83(42-65(74)91)114(9,100)101/h15-19,22-23,25-26,34,50-53,57-62,75H,20-21,24,27-33,35-49,73H2,1-14H3,(H2,74,91)(H,76,92)(H,77,90)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,98,99)/t53-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.95E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...

J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))		BDBM50506490
PNG
(CHEMBL4460091)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(C)(=O)=O)NC(C)=O |r|
Show InChI InChI=1S/C72H125N17O24S7/c1-50(2)30-59(77-54(8)90)38-86(117(12,106)107)47-70(96)81-61(32-55-22-16-15-17-23-55)39-87(118(13,108)109)44-68(94)79-58(27-28-72(98)99)37-85(116(11,104)105)46-71(97)82-62(33-56-34-75-64-26-19-18-25-63(56)64)40-88(119(14,110)111)43-67(93)78-57(24-20-21-29-73)36-84(115(10,102)103)45-69(95)80-60(31-51(3)4)41-89(120(112,113)49-52(5)6)48-66(92)76-53(7)35-83(42-65(74)91)114(9,100)101/h15-19,22-23,25-26,34,50-53,57-62,75H,20-21,24,27-33,35-49,73H2,1-14H3,(H2,74,91)(H,76,92)(H,77,90)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,98,99)/t53-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 98n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...

J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
More data for this
Ligand-Target Pair