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BDBM242614 (S)—N—((S)-5-(4-acetylbenzoyl)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-aminopropanamide hydrochloride::US10053431, 39

SMILES: COc1ccc2cc(Br)ccc2c1CN1c2ccccc2N(C[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)c1ccc(cc1)C(C)=O

InChI Key: InChIKey=PSNQIUPKZKGASK-CGLHKGAZNA-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 = 242614   
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
BIR3


(Homo sapiens (Human))
BDBM242614
PNG
((S)—N—((S)-5-(4-acetylbenzoyl)-1-((6-bro...)
Show SMILES COc1ccc2cc(Br)ccc2c1CN1c2ccccc2N(C[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)c1ccc(cc1)C(C)=O
Show InChI InChI=1/C33H31BrN4O5/c1-19(35)31(40)36-27-18-38(32(41)22-10-8-21(9-11-22)20(2)39)29-7-5-4-6-28(29)37(33(27)42)17-26-25-14-13-24(34)16-23(25)12-15-30(26)43-3/h4-16,19,27H,17-18,35H2,1-3H3,(H,36,40)/t19-,27-/s2
PDB

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.19E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)


Article DOI: 10.1021/bi0488799
BindingDB Entry DOI: 10.7270/Q2W097X3
More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM242614
PNG
((S)—N—((S)-5-(4-acetylbenzoyl)-1-((6-bro...)
Show SMILES COc1ccc2cc(Br)ccc2c1CN1c2ccccc2N(C[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)c1ccc(cc1)C(C)=O
Show InChI InChI=1/C33H31BrN4O5/c1-19(35)31(40)36-27-18-38(32(41)22-10-8-21(9-11-22)20(2)39)29-7-5-4-6-28(29)37(33(27)42)17-26-25-14-13-24(34)16-23(25)12-15-30(26)43-3/h4-16,19,27H,17-18,35H2,1-3H3,(H,36,40)/t19-,27-/s2
PDB

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 19n/an/an/an/a7.525



Hoffmann-La Roche Inc

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)


Article DOI: 10.1021/bi0488799
BindingDB Entry DOI: 10.7270/Q2W097X3
More data for this
Ligand-Target Pair