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SMILES: CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)NC1CCc2ccccc2C1

InChI Key: InChIKey=JVKUTJDGZDAHLE-RZTOKTMZSA-N

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 2 hits for monomerid = 44314   
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 XIAP


(Homo sapiens (Human))
BDBM44314
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C23H36N4O3/c1-13(2)19(27-23(30)20(14(3)4)26-21(28)15(5)24)22(29)25-18-11-10-16-8-6-7-9-17(16)12-18/h6-9,13-15,18-20H,10-12,24H2,1-5H3,(H,25,29)(H,26,28)(H,27,30)/t15-,18?,19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM44314
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C23H36N4O3/c1-13(2)19(27-23(30)20(14(3)4)26-21(28)15(5)24)22(29)25-18-11-10-16-8-6-7-9-17(16)12-18/h6-9,13-15,18-20H,10-12,24H2,1-5H3,(H,25,29)(H,26,28)(H,27,30)/t15-,18?,19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair