BDBM50365845 CHEMBL1957105

SMILES: CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)[N+]([O-])=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=CQDFDYIAENVHDT-SDDWGXRISA-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 = 50365845   

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))	BDBM50365845 (CHEMBL1957105) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)[N+]([O-])=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H46N6O5/c1-3-31(38-2)35(44)41-34-28(22-23-39-24-25-14-17-30(18-15-25)43(47)48)16-19-29-20-21-32(42(29)37(34)46)36(45)40-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28-29,31-34,38-39H,3,16,19-24H2,1-2H3,(H,40,45)(H,41,44)/t28-,29+,31+,32+,34+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365845 (CHEMBL1957105) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)[N+]([O-])=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H46N6O5/c1-3-31(38-2)35(44)41-34-28(22-23-39-24-25-14-17-30(18-15-25)43(47)48)16-19-29-20-21-32(42(29)37(34)46)36(45)40-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28-29,31-34,38-39H,3,16,19-24H2,1-2H3,(H,40,45)(H,41,44)/t28-,29+,31+,32+,34+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair