BindingDB logo
myBDB logout

BDBM241682 (S)-3-((S)-2-Methylamino-propionylamino)-5-(2-methyl-naphthalen-1-ylmethyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carboxylic acid methylamide hydrochloride::US10053431, 17

SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O

InChI Key: InChIKey=ZWOABPMSDSIAAD-AVRDEDQJSA-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 = 241682   
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


()
BDBM241682
PNG
((S)-3-((S)-2-Methylamino-propionylamino)-5-(2-meth...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H31N5O3/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-31-23-11-7-8-12-24(23)32(27(35)29-4)16-22(26(31)34)30-25(33)18(2)28-3/h5-14,18,22,28H,15-16H2,1-4H3,(H,29,35)(H,30,33)/t18-,22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.48E+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)

More data for this
Ligand-Target Pair
BIR2


()
BDBM241682
PNG
((S)-3-((S)-2-Methylamino-propionylamino)-5-(2-meth...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C27H31N5O3/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-31-23-11-7-8-12-24(23)32(27(35)29-4)16-22(26(31)34)30-25(33)18(2)28-3/h5-14,18,22,28H,15-16H2,1-4H3,(H,29,35)(H,30,33)/t18-,22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.43E+3n/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)

More data for this
Ligand-Target Pair