BindingDB logo
myBDB logout

BDBM314255 (S)—N—((S)-1-((2-Methoxy-5-(1H-tetrazol-5-yl)naphthalene-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-2-(methylamino)propanamide hydrochloride::US9611224, Example 68

SMILES: CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)-c2nnn[nH]2)C1=O

InChI Key: InChIKey=KGXDXMIDJUOTDB-AOMKIAJQSA-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 = 314255   
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))
BDBM314255
PNG
((S)—N—((S)-1-((2-Methoxy-5-(1H-tetrazol-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)-c2nnn[nH]2)C1=O
Show InChI InChI=1S/C27H29N7O3/c1-16(28-2)26(35)29-22-13-11-17-7-4-5-10-23(17)34(27(22)36)15-21-18-8-6-9-20(25-30-32-33-31-25)19(18)12-14-24(21)37-3/h4-10,12,14,16,22,28H,11,13,15H2,1-3H3,(H,29,35)(H,30,31,32,33)/t16-,22-/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))
BDBM314255
PNG
((S)—N—((S)-1-((2-Methoxy-5-(1H-tetrazol-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3c(cccc23)-c2nnn[nH]2)C1=O
Show InChI InChI=1S/C27H29N7O3/c1-16(28-2)26(35)29-22-13-11-17-7-4-5-10-23(17)34(27(22)36)15-21-18-8-6-9-20(25-30-32-33-31-25)19(18)12-14-24(21)37-3/h4-10,12,14,16,22,28H,11,13,15H2,1-3H3,(H,29,35)(H,30,31,32,33)/t16-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 72n/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