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BDBM314233 (S)—N—[(S)-1-(6-Acetyl-2-methoxy-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl]-2-methylamino-propionamide hydrochloride::US9611224, Example 45

SMILES: CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(C)=O)C1=O

InChI Key: InChIKey=ZWYKEWYNXHADHH-XDHUDOTRSA-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 = 314233   
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))
BDBM314233
PNG
((S)—N—[(S)-1-(6-Acetyl-2-methoxy-naphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(C)=O)C1=O
Show InChI InChI=1S/C28H31N3O4/c1-17(29-3)27(33)30-24-13-10-19-7-5-6-8-25(19)31(28(24)34)16-23-22-12-9-20(18(2)32)15-21(22)11-14-26(23)35-4/h5-9,11-12,14-15,17,24,29H,10,13,16H2,1-4H3,(H,30,33)/t17-,24-/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))
BDBM314233
PNG
((S)—N—[(S)-1-(6-Acetyl-2-methoxy-naphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(C)=O)C1=O
Show InChI InChI=1S/C28H31N3O4/c1-17(29-3)27(33)30-24-13-10-19-7-5-6-8-25(19)31(28(24)34)16-23-22-12-9-20(18(2)32)15-21(22)11-14-26(23)35-4/h5-9,11-12,14-15,17,24,29H,10,13,16H2,1-4H3,(H,30,33)/t17-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 197n/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