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BDBM50436878 CHEMBL2403872

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

InChI Key: InChIKey=VCKNDEAQNFVJQO-CZGNIMDHSA-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 = 50436878   
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))
BDBM50436878
PNG
(CHEMBL2403872)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H40N8O5/c1-15(2)21(31-22(34)16(3)27-4)24(36)30-20(13-8-14-28-25(26)32-33(37)38)23(35)29-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,27H,7-8,10,12-14H2,1-4H3,(H,29,35)(H,30,36)(H,31,34)(H3,26,28,32)/t16-,19+,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.51E+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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436878
PNG
(CHEMBL2403872)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H40N8O5/c1-15(2)21(31-22(34)16(3)27-4)24(36)30-20(13-8-14-28-25(26)32-33(37)38)23(35)29-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,27H,7-8,10,12-14H2,1-4H3,(H,29,35)(H,30,36)(H,31,34)(H3,26,28,32)/t16-,19+,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
290n/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