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BDBM314173 (S)-2-amino-N—((S)-1-((3-methoxyquinolin-4-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)butanamide::US9611224, Example 3

SMILES: CC[C@H](N)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O

InChI Key: InChIKey=OJCHLJWMPJLTJL-FPOVZHCZSA-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 = 314173   
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 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM314173
PNG
((S)-2-amino-N—((S)-1-((3-methoxyquinolin-4-yl...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O3/c1-3-19(26)24(30)28-21-13-12-16-8-4-7-11-22(16)29(25(21)31)15-18-17-9-5-6-10-20(17)27-14-23(18)32-2/h4-11,14,19,21H,3,12-13,15,26H2,1-2H3,(H,28,30)/t19-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.99E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314173
PNG
((S)-2-amino-N—((S)-1-((3-methoxyquinolin-4-yl...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
Show InChI InChI=1S/C25H28N4O3/c1-3-19(26)24(30)28-21-13-12-16-8-4-7-11-22(16)29(25(21)31)15-18-17-9-5-6-10-20(17)27-14-23(18)32-2/h4-11,14,19,21H,3,12-13,15,26H2,1-2H3,(H,28,30)/t19-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6 ...


US Patent US9611224 (2017)

More data for this
Ligand-Target Pair