Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.1 BDBM50314458

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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50314458 ((2S)-N-((1S)-2-((2S)-2-(5-chloro-4-(naphthalen-1-y...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(c(Cl)s1)-c1cccc2ccccc12 |r| Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-24(20-11-4-3-5-12-20)29(36)34-17-9-16-23(34)28-33-25(26(30)37-28)22-15-8-13-19-10-6-7-14-21(19)22/h6-8,10,13-15,18,20,23-24,31H,3-5,9,11-12,16-17H2,1-2H3,(H,32,35)/t18-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...				Bioorg Med Chem Lett 20: 2229-33 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.02.021 BindingDB Entry DOI: 10.7270/Q298875B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM50314458 ((2S)-N-((1S)-2-((2S)-2-(5-chloro-4-(naphthalen-1-y...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(c(Cl)s1)-c1cccc2ccccc12 |r| Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-24(20-11-4-3-5-12-20)29(36)34-17-9-16-23(34)28-33-25(26(30)37-28)22-15-8-13-19-10-6-7-14-21(19)22/h6-8,10,13-15,18,20,23-24,31H,3-5,9,11-12,16-17H2,1-2H3,(H,32,35)/t18-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...				Bioorg Med Chem Lett 20: 2229-33 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.02.021 BindingDB Entry DOI: 10.7270/Q298875B
					More data for this Ligand-Target Pair