Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 466.6 BDBM50001087

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50001087 (CHEMBL3236373) Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4nc5cc(C)ccc5[nH]4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C26H38N6O2/c1-16-7-8-20-22(13-16)29-24(28-20)10-12-31-11-9-18-14-19-5-4-6-21(30-25(33)17(2)27-3)26(34)32(19)23(18)15-31/h7-8,13,17-19,21,23,27H,4-6,9-12,14-15H2,1-3H3,(H,28,29)(H,30,33)/t17-,18+,19-,21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 1820-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.016 BindingDB Entry DOI: 10.7270/Q2416ZJ7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50001087 (CHEMBL3236373) Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4nc5cc(C)ccc5[nH]4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C26H38N6O2/c1-16-7-8-20-22(13-16)29-24(28-20)10-12-31-11-9-18-14-19-5-4-6-21(30-25(33)17(2)27-3)26(34)32(19)23(18)15-31/h7-8,13,17-19,21,23,27H,4-6,9-12,14-15H2,1-3H3,(H,28,29)(H,30,33)/t17-,18+,19-,21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 1820-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.016 BindingDB Entry DOI: 10.7270/Q2416ZJ7
					More data for this Ligand-Target Pair