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SMILES: CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NNc1ccccc1

InChI Key: InChIKey=CFJWEIGSIJDXMY-QRTARXTBSA-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 = 44355   
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))
BDBM44355
PNG
(MLS-0425211.0001 | cid_44229040 | formic acid;(4S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H32N6O4/c1-12(2)17(24-18(28)13(3)22-4)20(30)23-15(10-11-16(21)27)19(29)26-25-14-8-6-5-7-9-14/h5-9,12-13,15,17,22,25H,10-11H2,1-4H3,(H2,21,27)(H,23,30)(H,24,28)(H,26,29)/t13-,15-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 1.82E+5n/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))
BDBM44355
PNG
(MLS-0425211.0001 | cid_44229040 | formic acid;(4S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H32N6O4/c1-12(2)17(24-18(28)13(3)22-4)20(30)23-15(10-11-16(21)27)19(29)26-25-14-8-6-5-7-9-14/h5-9,12-13,15,17,22,25H,10-11H2,1-4H3,(H2,21,27)(H,23,30)(H,24,28)(H,26,29)/t13-,15-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 1.35E+4n/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