BDBM50001132 CHEMBL3236071

SMILES: [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Br)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC

InChI Key: InChIKey=BCFKWSBDCRMWRK-ORDMVQLLSA-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 = 50001132   

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))	BDBM50001132 (CHEMBL3236071) Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Br)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35BrN4O2/c1-16(26-2)23(30)27-21-5-3-4-20-14-18-11-13-28(15-22(18)29(20)24(21)31)12-10-17-6-8-19(25)9-7-17/h6-9,16,18,20-22,26H,3-5,10-15H2,1-2H3,(H,27,30)/t16-,18+,20-,21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50001132 (CHEMBL3236071) Show SMILES [H][C@]12C[C@@]3([H])CCN(CCc4ccc(Br)cc4)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C24H35BrN4O2/c1-16(26-2)23(30)27-21-5-3-4-20-14-18-11-13-28(15-22(18)29(20)24(21)31)12-10-17-6-8-19(25)9-7-17/h6-9,16,18,20-22,26H,3-5,10-15H2,1-2H3,(H,27,30)/t16-,18+,20-,21-,22+/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	3.10E+3	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