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BDBM391827 US10300074, Compd 22::US10300074, Compd 23

SMILES: CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12

InChI Key: InChIKey=MVTULAMVOISCBR-FDGRXGLPSA-N

Data: 4 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 4 hits for monomerid = 391827   
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
BIR3 (aa 241-356)


(Homo sapiens (Human))
BDBM391827
PNG
(US10300074, Compd 22 | US10300074, Compd 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12 |r|
Show InChI InChI=1S/C21H26N4O4/c1-13(22-2)19(26)23-15-10-12-29-18-8-7-17(25(18)20(15)27)21(28)24-11-9-14-5-3-4-6-16(14)24/h3-6,9,11,13,15,17-18,22H,7-8,10,12H2,1-2H3,(H,23,26)/t13-,15-,17?,18-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.75E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
BIR3 (aa 241-356)


(Homo sapiens (Human))
BDBM391827
PNG
(US10300074, Compd 22 | US10300074, Compd 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12 |r|
Show InChI InChI=1S/C21H26N4O4/c1-13(22-2)19(26)23-15-10-12-29-18-8-7-17(25(18)20(15)27)21(28)24-11-9-14-5-3-4-6-16(14)24/h3-6,9,11,13,15,17-18,22H,7-8,10,12H2,1-2H3,(H,23,26)/t13-,15-,17?,18-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.75E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391827
PNG
(US10300074, Compd 22 | US10300074, Compd 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12 |r|
Show InChI InChI=1S/C21H26N4O4/c1-13(22-2)19(26)23-15-10-12-29-18-8-7-17(25(18)20(15)27)21(28)24-11-9-14-5-3-4-6-16(14)24/h3-6,9,11,13,15,17-18,22H,7-8,10,12H2,1-2H3,(H,23,26)/t13-,15-,17?,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>5.00E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
XIAP BIR1/2


(Homo sapiens (Human))
BDBM391827
PNG
(US10300074, Compd 22 | US10300074, Compd 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)n1ccc2ccccc12 |r|
Show InChI InChI=1S/C21H26N4O4/c1-13(22-2)19(26)23-15-10-12-29-18-8-7-17(25(18)20(15)27)21(28)24-11-9-14-5-3-4-6-16(14)24/h3-6,9,11,13,15,17-18,22H,7-8,10,12H2,1-2H3,(H,23,26)/t13-,15-,17?,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>5.00E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair