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BDBM50436877 CHEMBL2401764

SMILES: CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12

InChI Key: InChIKey=LAEIPUYJNBHTFF-QTMWPNOBSA-N

Data: 2 KI

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 = 50436877   
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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436877
PNG
(CHEMBL2401764)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C32H45N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-9,12-14,16,21-22,26-28,33H,10-11,15,17-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,26+,27-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
530n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436877
PNG
(CHEMBL2401764)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C32H45N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-9,12-14,16,21-22,26-28,33H,10-11,15,17-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,26+,27-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.75E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair