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BDBM314298 (S)-2-Methylamino-N-{(S)-2-oxo-1-[2-(2,2,2-trifluoro-ethoxy)-naphthalen-1-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-propionamide hydrochloride::US9611224, Example 47p

SMILES: CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OCC(F)(F)F)ccc3ccccc23)C1=O

InChI Key: InChIKey=HNXDGUDLWASATO-JTSKRJEESA-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 = 314298   
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))
BDBM314298
PNG
((S)-2-Methylamino-N-{(S)-2-oxo-1-[2-(2,2,2-trifluo...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OCC(F)(F)F)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H28F3N3O3/c1-17(31-2)25(34)32-22-13-11-19-8-4-6-10-23(19)33(26(22)35)15-21-20-9-5-3-7-18(20)12-14-24(21)36-16-27(28,29)30/h3-10,12,14,17,22,31H,11,13,15-16H2,1-2H3,(H,32,34)/t17-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.26E+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))
BDBM314298
PNG
((S)-2-Methylamino-N-{(S)-2-oxo-1-[2-(2,2,2-trifluo...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OCC(F)(F)F)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H28F3N3O3/c1-17(31-2)25(34)32-22-13-11-19-8-4-6-10-23(19)33(26(22)35)15-21-20-9-5-3-7-18(20)12-14-24(21)36-16-27(28,29)30/h3-10,12,14,17,22,31H,11,13,15-16H2,1-2H3,(H,32,34)/t17-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 85n/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