BDBM50255244 (1S,3S,6S,10aS,Z)-1-benzyl-6-((S)-2-(methylamino)propanamido)-5-oxo-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,5,6,7,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL472832

SMILES: CN[C@@H](C)C(=O)N[C@H]1C\C=C/C[C@H]2[C@@H](Cc3ccccc3)C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12

InChI Key: InChIKey=XRNWGSINTQPCAV-IXSUYCQFSA-N

Data: 3 KI

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 3 hits for monomerid = 50255244   

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 2 (Homo sapiens (Human))	BDBM50255244 ((1S,3S,6S,10aS,Z)-1-benzyl-6-((S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1C\C=C/C[C@H]2[C@@H](Cc3ccccc3)C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,c:9| Show InChI InChI=1S/C32H40N4O3/c1-21(33-2)30(37)35-27-16-8-9-18-28-24(19-22-11-4-3-5-12-22)20-29(36(28)32(27)39)31(38)34-26-17-10-14-23-13-6-7-15-25(23)26/h3-9,11-13,15,21,24,26-29,33H,10,14,16-20H2,1-2H3,(H,34,38)(H,35,37)/b9-8-/t21-,24-,26+,27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...				J Med Chem 52: 593-6 (2009) Article DOI: 10.1021/jm801101z BindingDB Entry DOI: 10.7270/Q2Z03816
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50255244 ((1S,3S,6S,10aS,Z)-1-benzyl-6-((S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1C\C=C/C[C@H]2[C@@H](Cc3ccccc3)C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,c:9| Show InChI InChI=1S/C32H40N4O3/c1-21(33-2)30(37)35-27-16-8-9-18-28-24(19-22-11-4-3-5-12-22)20-29(36(28)32(27)39)31(38)34-26-17-10-14-23-13-6-7-15-25(23)26/h3-9,11-13,15,21,24,26-29,33H,10,14,16-20H2,1-2H3,(H,34,38)(H,35,37)/b9-8-/t21-,24-,26+,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...				J Med Chem 52: 593-6 (2009) Article DOI: 10.1021/jm801101z BindingDB Entry DOI: 10.7270/Q2Z03816
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50255244 ((1S,3S,6S,10aS,Z)-1-benzyl-6-((S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1C\C=C/C[C@H]2[C@@H](Cc3ccccc3)C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,c:9| Show InChI InChI=1S/C32H40N4O3/c1-21(33-2)30(37)35-27-16-8-9-18-28-24(19-22-11-4-3-5-12-22)20-29(36(28)32(27)39)31(38)34-26-17-10-14-23-13-6-7-15-25(23)26/h3-9,11-13,15,21,24,26-29,33H,10,14,16-20H2,1-2H3,(H,34,38)(H,35,37)/b9-8-/t21-,24-,26+,27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...				J Med Chem 52: 593-6 (2009) Article DOI: 10.1021/jm801101z BindingDB Entry DOI: 10.7270/Q2Z03816
					More data for this Ligand-Target Pair