BDBM50078365 CHEMBL3414721

SMILES: [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn2nn3)cc1)C(O)=O

InChI Key: InChIKey=NUSGTOGZUYGSQN-VEIWGLSFSA-N

Data: 1 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 1 hit for monomerid = 50078365   

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 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50078365 (CHEMBL3414721) Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn2nn3)cc1)C(O)=O |r| Show InChI InChI=1S/C42H50N8O7/c1-25(43-2)38(51)46-37(29-9-4-3-5-10-29)41(54)49-23-32-21-36(49)40(53)44-34(20-27-12-15-28-8-6-7-11-30(28)18-27)39(52)45-35(42(55)56)19-26-13-16-33(17-14-26)57-24-31-22-50(32)48-47-31/h6-8,11-18,22,25,29,32,34-37,43H,3-5,9-10,19-21,23-24H2,1-2H3,(H,44,53)(H,45,52)(H,46,51)(H,55,56)/t25-,32-,34-,35-,36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corp Curated by ChEMBL					Assay Description Inhibition of XIAP BIR3 (241 to 356 residues) (unknown origin) incubated for 60 mins by fluoresceinated modified SMAC peptide based fluorescence pola...				J Med Chem 58: 2855-61 (2015) Article DOI: 10.1021/jm501892g BindingDB Entry DOI: 10.7270/Q2RF5WQ0
					More data for this Ligand-Target Pair