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BDBM314191 (S)-2-(2-Hydroxyethylamino)-N—((S)-1-((3-methoxyquinolin-4-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)butanamide::US9611224, Example 4

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

InChI Key: InChIKey=XSUVNNOWKNXAPA-GMAHTHKFSA-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 = 314191   
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))
BDBM314191
PNG
((S)-2-(2-Hydroxyethylamino)-N—((S)-1-((3-meth...)
Show SMILES CC[C@H](NCCO)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-3-21(28-14-15-32)26(33)30-23-13-12-18-8-4-7-11-24(18)31(27(23)34)17-20-19-9-5-6-10-22(19)29-16-25(20)35-2/h4-11,16,21,23,28,32H,3,12-15,17H2,1-2H3,(H,30,33)/t21-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.48E+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))
BDBM314191
PNG
((S)-2-(2-Hydroxyethylamino)-N—((S)-1-((3-meth...)
Show SMILES CC[C@H](NCCO)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
Show InChI InChI=1S/C27H32N4O4/c1-3-21(28-14-15-32)26(33)30-23-13-12-18-8-4-7-11-24(18)31(27(23)34)17-20-19-9-5-6-10-22(19)29-16-25(20)35-2/h4-11,16,21,23,28,32H,3,12-15,17H2,1-2H3,(H,30,33)/t21-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/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