BDBM213368 US9278978, 3

SMILES: CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cc(C)nc2c(F)cccc12)-c1ncnc2c(C)nn(C)c12

InChI Key: InChIKey=HVHRROJQIZQHJX-QGZVFWFLSA-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 = 213368   

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))	BDBM213368 (US9278978, 3) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cc(C)nc2c(F)cccc12)-c1ncnc2c(C)nn(C)c12 |r| Show InChI InChI=1S/C28H25FN8O/c1-15-11-18(21-7-6-8-22(29)26(21)33-15)9-10-20-12-19(13-23(34-20)35-28(38)17(3)30-4)25-27-24(31-14-32-25)16(2)36-37(27)5/h6-8,11-14,17,30H,1-5H3,(H,34,35,38)/t17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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))	BDBM213368 (US9278978, 3) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cc(C)nc2c(F)cccc12)-c1ncnc2c(C)nn(C)c12 |r| Show InChI InChI=1S/C28H25FN8O/c1-15-11-18(21-7-6-8-22(29)26(21)33-15)9-10-20-12-19(13-23(34-20)35-28(38)17(3)30-4)25-27-24(31-14-32-25)16(2)36-37(27)5/h6-8,11-14,17,30H,1-5H3,(H,34,35,38)/t17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	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