BDBM213396 US9278978, 31

SMILES: CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ccc(OC)nc1

InChI Key: InChIKey=SQIFKCAJUJSUEH-MRXNPFEDSA-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 = 213396   

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
Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3) (Homo sapiens (Human))	BDBM213396 (US9278978, 31) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C23H22N4O2/c1-16(24-2)23(28)27-21-14-19(18-10-12-22(29-3)25-15-18)13-20(26-21)11-9-17-7-5-4-6-8-17/h4-8,10,12-16,24H,1-3H3,(H,26,27,28)/t16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	325	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...				US Patent US9278978 (2016) BindingDB Entry DOI: 10.7270/Q2JM28G4
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3) (Homo sapiens (Human))	BDBM213396 (US9278978, 31) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C23H22N4O2/c1-16(24-2)23(28)27-21-14-19(18-10-12-22(29-3)25-15-18)13-20(26-21)11-9-17-7-5-4-6-8-17/h4-8,10,12-16,24H,1-3H3,(H,26,27,28)/t16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	711	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...				US Patent US9278978 (2016) BindingDB Entry DOI: 10.7270/Q2JM28G4
					More data for this Ligand-Target Pair