BDBM242799 US9422331, 20

SMILES: CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O

InChI Key: InChIKey=YYCXQMKDRLZUKM-RPPIVITFSA-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 = 242799   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
XIAP protein BIR3 (Artificial Sequence)	BDBM242799 (US9422331, 20) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O |r| Show InChI InChI=1S/C27H31N5O3/c1-16-14-29-22-11-7-6-10-20(22)21(16)15-31-23-12-8-9-13-24(23)32(19(4)33)18(3)25(27(31)35)30-26(34)17(2)28-5/h6-14,17-18,25,28H,15H2,1-5H3,(H,30,34)/t17-,18-,25-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.48E+4	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (BIR2) (Artificial Organism)	BDBM242799 (US9422331, 20) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O |r| Show InChI InChI=1S/C27H31N5O3/c1-16-14-29-22-11-7-6-10-20(22)21(16)15-31-23-12-8-9-13-24(23)32(19(4)33)18(3)25(27(31)35)30-26(34)17(2)28-5/h6-14,17-18,25,28H,15H2,1-5H3,(H,30,34)/t17-,18-,25-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair