BDBM213389 US9278978, 24

SMILES: CN[C@H](C)C(=O)Nc1cc(c(Cl)c(n1)C#Cc1ccc2c(C)nccc2c1)-c1cccc2cnn(C)c12

InChI Key: InChIKey=YKJNAKXBIBHQOG-GOSISDBHSA-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 = 213389   

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))	BDBM213389 (US9278978, 24) Show SMILES CN[C@H](C)C(=O)Nc1cc(c(Cl)c(n1)C#Cc1ccc2c(C)nccc2c1)-c1cccc2cnn(C)c12 |r| Show InChI InChI=1S/C29H25ClN6O/c1-17-22-10-8-19(14-20(22)12-13-32-17)9-11-25-27(30)24(15-26(34-25)35-29(37)18(2)31-3)23-7-5-6-21-16-33-36(4)28(21)23/h5-8,10,12-16,18,31H,1-4H3,(H,34,35,37)/t18-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM213389 (US9278978, 24) Show SMILES CN[C@H](C)C(=O)Nc1cc(c(Cl)c(n1)C#Cc1ccc2c(C)nccc2c1)-c1cccc2cnn(C)c12 |r| Show InChI InChI=1S/C29H25ClN6O/c1-17-22-10-8-19(14-20(22)12-13-32-17)9-11-25-27(30)24(15-26(34-25)35-29(37)18(2)31-3)23-7-5-6-21-16-33-36(4)28(21)23/h5-8,10,12-16,18,31H,1-4H3,(H,34,35,37)/t18-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40E+3	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