BDBM50001097 CHEMBL3236377

SMILES: [H][C@]12C[C@@]3([H])CCN(CC4CCCCC4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC

InChI Key: InChIKey=MHDMVZCYMNLADX-DARKYYSBSA-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 = 50001097   

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))	BDBM50001097 (CHEMBL3236377) Show SMILES [H][C@]12C[C@@]3([H])CCN(CC4CCCCC4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C23H40N4O2/c1-16(24-2)22(28)25-20-10-6-9-19-13-18-11-12-26(14-17-7-4-3-5-8-17)15-21(18)27(19)23(20)29/h16-21,24H,3-15H2,1-2H3,(H,25,28)/t16-,18+,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50001097 (CHEMBL3236377) Show SMILES [H][C@]12C[C@@]3([H])CCN(CC4CCCCC4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C23H40N4O2/c1-16(24-2)22(28)25-20-10-6-9-19-13-18-11-12-26(14-17-7-4-3-5-8-17)15-21(18)27(19)23(20)29/h16-21,24H,3-15H2,1-2H3,(H,25,28)/t16-,18+,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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