BDBM50535123 CHEMBL4552544

SMILES: [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CCNC(=O)c1ccccc1)CC2)C(=O)N[C@H](C(=O)N\N=C\c1cccc(CC=C)c1O)c1ccccc1

InChI Key: InChIKey=NFZCUKCYVLOVIA-SZCHVDSXSA-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 = 50535123   

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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50535123 (CHEMBL4552544) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CCNC(=O)c1ccccc1)CC2)C(=O)N[C@H](C(=O)N\N=C\c1cccc(CC=C)c1O)c1ccccc1 |r| Show InChI InChI=1S/C42H51N7O6/c1-4-13-29-18-12-19-31(37(29)50)26-45-48-41(54)35(27-14-8-6-9-15-27)46-40(53)34-23-22-32-21-20-28(24-25-44-38(51)30-16-10-7-11-17-30)36(42(55)49(32)34)47-39(52)33(5-2)43-3/h4,6-12,14-19,26,28,32-36,43,50H,1,5,13,20-25H2,2-3H3,(H,44,51)(H,46,53)(H,47,52)(H,48,54)/b45-26+/t28-,32+,33+,34+,35+,36+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...				Bioorg Med Chem Lett 26: 4613-4619 (2016) Article DOI: 10.1016/j.bmcl.2016.08.065
					More data for this Ligand-Target Pair