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BDBM242641 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-7- cyano-5-(4-cyanobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 143

SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N

InChI Key: InChIKey=ZFAYVSVZTBMEQS-YLMXPYOGNA-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 = 242641   
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))
BDBM242641
PNG
((S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N
Show InChI InChI=1/C34H29BrN6O4/c1-20(38-2)32(42)39-28-19-41(33(43)23-10-7-21(16-36)8-11-23)30-15-22(17-37)9-13-29(30)40(34(28)44)18-26-24-5-4-6-27(35)25(24)12-14-31(26)45-3/h4-15,20,28,38H,18-19H2,1-3H3,(H,39,42)/t20-,28-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.63E+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))
BDBM242641
PNG
((S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N
Show InChI InChI=1/C34H29BrN6O4/c1-20(38-2)32(42)39-28-19-41(33(43)23-10-7-21(16-36)8-11-23)30-15-22(17-37)9-13-29(30)40(34(28)44)18-26-24-5-4-6-27(35)25(24)12-14-31(26)45-3/h4-15,20,28,38H,18-19H2,1-3H3,(H,39,42)/t20-,28-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.11n/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