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BDBM156175 US9018214, 226

SMILES: C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(F)(F)C2CCC2)[C@@H](CN2CCCC2=O)CN1

InChI Key: InChIKey=DBKVIBHYJAQLIJ-YLJYHZDGSA-N

Data: 2 IC50

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 = 156175   
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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM156175
PNG
(US9018214, 226)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(F)(F)C2CCC2)[C@@H](CN2CCCC2=O)CN1 |r|
Show InChI InChI=1S/C26H37F2N5O2/c1-17-13-32(20(12-29-17)14-31-9-5-8-22(31)34)15-23(35)33-16-25(2,3)24-21(33)10-19(11-30-24)26(27,28)18-6-4-7-18/h10-11,17-18,20,29H,4-9,12-16H2,1-3H3/t17-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 21n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...


US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM156175
PNG
(US9018214, 226)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(F)(F)C2CCC2)[C@@H](CN2CCCC2=O)CN1 |r|
Show InChI InChI=1S/C26H37F2N5O2/c1-17-13-32(20(12-29-17)14-31-9-5-8-22(31)34)15-23(35)33-16-25(2,3)24-21(33)10-19(11-30-24)26(27,28)18-6-4-7-18/h10-11,17-18,20,29H,4-9,12-16H2,1-3H3/t17-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 46n/an/an/an/a7.525



Astex Therapeutics Limited

US Patent


Assay Description
Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...


US Patent US9018214 (2015)


BindingDB Entry DOI: 10.7270/Q23T9FXQ
More data for this
Ligand-Target Pair