null

SMILES: CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(F)cc(F)c1)-c1ncnc2c(C)nn(C)c12

InChI Key: InChIKey=ANPZZTBOYZYRBL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 213405   

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
Baculoviral IAP repeat-containing protein 2 [256-363] (Homo sapiens (Human))	BDBM213405 (US9278978, 40) Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(F)cc(F)c1)-c1ncnc2c(C)nn(C)c12 Show InChI InChI=1S/C24H21F2N7O/c1-13-21-23(33(4)32-13)22(29-12-28-21)16-9-19(6-5-15-7-17(25)11-18(26)8-15)30-20(10-16)31-24(34)14(2)27-3/h7-12,14,27H,1-4H3,(H,30,31,34)	PDB UniProtKB/SwissProt 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
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM213405 (US9278978, 40) Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(F)cc(F)c1)-c1ncnc2c(C)nn(C)c12 Show InChI InChI=1S/C24H21F2N7O/c1-13-21-23(33(4)32-13)22(29-12-28-21)16-9-19(6-5-15-7-17(25)11-18(26)8-15)30-20(10-16)31-24(34)14(2)27-3/h7-12,14,27H,1-4H3,(H,30,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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