BDBM213369 US9278978, 4

SMILES: CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccn2c(C)ncc2c1)-c1ncnc2c(C)nn(C)c12

InChI Key: InChIKey=ZHJDTJNSIZPBCQ-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 = 213369   

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))	BDBM213369 (US9278978, 4) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccn2c(C)ncc2c1)-c1ncnc2c(C)nn(C)c12 |r| Show InChI InChI=1S/C26H25N9O/c1-15-23-25(34(5)33-15)24(30-14-29-23)19-11-20(31-22(12-19)32-26(36)16(2)27-4)7-6-18-8-9-35-17(3)28-13-21(35)10-18/h8-14,16,27H,1-5H3,(H,31,32,36)/t16-/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))	BDBM213369 (US9278978, 4) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccn2c(C)ncc2c1)-c1ncnc2c(C)nn(C)c12 |r| Show InChI InChI=1S/C26H25N9O/c1-15-23-25(34(5)33-15)24(30-14-29-23)19-11-20(31-22(12-19)32-26(36)16(2)27-4)7-6-18-8-9-35-17(3)28-13-21(35)10-18/h8-14,16,27H,1-5H3,(H,31,32,36)/t16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	95	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