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BDBM314202 (S)—N—{(S)-1-[2-(3-Hydroxy-oxetan-3-ylethynyl)-naphthalen-1-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-2-methylamino-propionamide::US9611224, Example 14

SMILES: CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(ccc3ccccc23)C#CC2(O)COC2)C1=O

InChI Key: InChIKey=ZPOOJWQSCLPBNX-FNZWTVRRSA-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 = 314202   
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))
BDBM314202
PNG
((S)—N—{(S)-1-[2-(3-Hydroxy-oxetan-3-ylet...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(ccc3ccccc23)C#CC2(O)COC2)C1=O
Show InChI InChI=1S/C30H31N3O4/c1-20(31-2)28(34)32-26-14-13-23-8-4-6-10-27(23)33(29(26)35)17-25-22(15-16-30(36)18-37-19-30)12-11-21-7-3-5-9-24(21)25/h3-12,20,26,31,36H,13-14,17-19H2,1-2H3,(H,32,34)/t20-,26-/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))
BDBM314202
PNG
((S)—N—{(S)-1-[2-(3-Hydroxy-oxetan-3-ylet...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(ccc3ccccc23)C#CC2(O)COC2)C1=O
Show InChI InChI=1S/C30H31N3O4/c1-20(31-2)28(34)32-26-14-13-23-8-4-6-10-27(23)33(29(26)35)17-25-22(15-16-30(36)18-37-19-30)12-11-21-7-3-5-9-24(21)25/h3-12,20,26,31,36H,13-14,17-19H2,1-2H3,(H,32,34)/t20-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 122n/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