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BDBM156160 US9018214, 211

SMILES: CC(C)C(F)(F)c1cc2N(CC(C)(C)c2cn1)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O

InChI Key: InChIKey=WJPANJCXYDCWNP-QZTJIDSGSA-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 = 156160   
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))
BDBM156160
PNG
(US9018214, 211)
Show SMILES CC(C)C(F)(F)c1cc2N(CC(C)(C)c2cn1)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O |r|
Show InChI InChI=1S/C25H37F2N5O2/c1-16(2)25(26,27)21-9-20-19(11-29-21)24(4,5)15-32(20)23(34)14-31-12-17(3)28-10-18(31)13-30-8-6-7-22(30)33/h9,11,16-18,28H,6-8,10,12-15H2,1-5H3/t17-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 22n/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))
BDBM156160
PNG
(US9018214, 211)
Show SMILES CC(C)C(F)(F)c1cc2N(CC(C)(C)c2cn1)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O |r|
Show InChI InChI=1S/C25H37F2N5O2/c1-16(2)25(26,27)21-9-20-19(11-29-21)24(4,5)15-32(20)23(34)14-31-12-17(3)28-10-18(31)13-30-8-6-7-22(30)33/h9,11,16-18,28H,6-8,10,12-15H2,1-5H3/t17-,18-/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