BDBM213386 US9278978, 21

SMILES: CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cnc(nc1)-n1cnc(C)c1)-c1nc(C)nc2nn(C)c(C)c12

InChI Key: InChIKey=VKHIIHCOKPKPJZ-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 = 213386   

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))	BDBM213386 (US9278978, 21) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cnc(nc1)-n1cnc(C)c1)-c1nc(C)nc2nn(C)c(C)c12 |r| Show InChI InChI=1S/C27H27N11O/c1-15-13-38(14-31-15)27-29-11-19(12-30-27)7-8-21-9-20(10-22(34-21)35-26(39)16(2)28-5)24-23-17(3)37(6)36-25(23)33-18(4)32-24/h9-14,16,28H,1-6H3,(H,34,35,39)/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))	BDBM213386 (US9278978, 21) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cnc(nc1)-n1cnc(C)c1)-c1nc(C)nc2nn(C)c(C)c12 |r| Show InChI InChI=1S/C27H27N11O/c1-15-13-38(14-31-15)27-29-11-19(12-30-27)7-8-21-9-20(10-22(34-21)35-26(39)16(2)28-5)24-23-17(3)37(6)36-25(23)33-18(4)32-24/h9-14,16,28H,1-6H3,(H,34,35,39)/t16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	158	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