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BDBM50111440 4-(1-carbamoyl-4-methylpentanamide-2-yl-cyclopropylcarbamoyl)-4-{2-(6-chloro-1H-3-indolyl)-1-[1-{1-methyl-1-[1-(1-methylcarboxamido-2-phenylethylcarboxamido)-3-methylsulfanylpropylcarboxamido]ethylcarboxamido}-2-(4-methylphosphatephenyl)ethylcarboxamido]ethylcarboxamido}butanoic acid::Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2, GST-hdm2 binding peptide::CID44286587

SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP([O-])([O-])=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=FBKFDSUZBVDZIX-FFGDOFBPSA-L

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50111440   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50111440
PNG
(4-(1-carbamoyl-4-methylpentanamide-2-yl-cyclopropy...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP([O-])([O-])=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C56H74ClN10O14PS/c1-31(2)24-42(47(58)71)64-54(78)56(21-22-56)67-52(76)39(18-19-46(69)70)61-50(74)45(27-36-29-59-41-28-37(57)16-17-38(36)41)63-49(73)44(26-34-12-14-35(15-13-34)30-82(79,80)81)65-53(77)55(4,5)66-51(75)40(20-23-83-6)62-48(72)43(60-32(3)68)25-33-10-8-7-9-11-33/h7-17,28-29,31,39-40,42-45,59H,18-27,30H2,1-6H3,(H2,58,71)(H,60,68)(H,61,74)(H,62,72)(H,63,73)(H,64,78)(H,65,77)(H,66,75)(H,67,76)(H,69,70)(H2,79,80,81)/p-2/t39-,40-,42-,43-,44-,45-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Antagonist activity at human GST-tagged MDM2 assessed as inhibition of binding to full length p53


Bioorg Med Chem Lett 23: 2480-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.034
BindingDB Entry DOI: 10.7270/Q2RN3970
More data for this
Ligand-Target Pair
Glutathione S-transferase A2


(Homo sapiens (Human))
BDBM50111440
PNG
(4-(1-carbamoyl-4-methylpentanamide-2-yl-cyclopropy...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP([O-])([O-])=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C56H74ClN10O14PS/c1-31(2)24-42(47(58)71)64-54(78)56(21-22-56)67-52(76)39(18-19-46(69)70)61-50(74)45(27-36-29-59-41-28-37(57)16-17-38(36)41)63-49(73)44(26-34-12-14-35(15-13-34)30-82(79,80)81)65-53(77)55(4,5)66-51(75)40(20-23-83-6)62-48(72)43(60-32(3)68)25-33-10-8-7-9-11-33/h7-17,28-29,31,39-40,42-45,59H,18-27,30H2,1-6H3,(H2,58,71)(H,60,68)(H,61,74)(H,62,72)(H,63,73)(H,64,78)(H,65,77)(H,66,75)(H,67,76)(H,69,70)(H2,79,80,81)/p-2/t39-,40-,42-,43-,44-,45-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p53 binding to Glutathione S-transferase 2 (hdm2-GST)


J Med Chem 45: 1543-58 (2002)


BindingDB Entry DOI: 10.7270/Q2CN74ND
More data for this
Ligand-Target Pair