BDBM50273674 (5S,8S,10aR)-N-Benzhydryl-3-methyl-5-((S)-2-(methylamino)-propanamido)-6-oxodeca-hydropyrrolo[1,2-a][1,5]diazocine-8-carbox-amide::CHEMBL461456

SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=LTSMFEKJLOPVQW-UQAQOTMJSA-N

Data: 2 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 2 hits for monomerid = 50273674   

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))	BDBM50273674 ((5S,8S,10aR)-N-Benzhydryl-3-methyl-5-((S)-2-(methy...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H37N5O3/c1-19(29-2)26(34)30-23-18-32(3)17-16-22-14-15-24(33(22)28(23)36)27(35)31-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22-25,29H,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,22+,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of fluorescently tagged SM5F from human cIAP-1 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay				J Med Chem 51: 8158-62 (2008) Article DOI: 10.1021/jm801254r BindingDB Entry DOI: 10.7270/Q2BR8S2R
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 8 (Homo sapiens (Human))	BDBM50273674 ((5S,8S,10aR)-N-Benzhydryl-3-methyl-5-((S)-2-(methy...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H37N5O3/c1-19(29-2)26(34)30-23-18-32(3)17-16-22-14-15-24(33(22)28(23)36)27(35)31-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22-25,29H,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,22+,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay				J Med Chem 51: 8158-62 (2008) Article DOI: 10.1021/jm801254r BindingDB Entry DOI: 10.7270/Q2BR8S2R
					More data for this Ligand-Target Pair