BDBM50001099 CHEMBL3236379

SMILES: [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=JGYYIXIFPKTGEK-APYQXVPZSA-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 = 50001099   

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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50001099 (CHEMBL3236379) Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O2/c1-20(30-2)28(34)31-25-15-9-14-24-18-23-16-17-32(19-26(23)33(24)29(25)35)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,30H,9,14-19H2,1-2H3,(H,31,34)/t20-,23+,24-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50001099 (CHEMBL3236379) Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O2/c1-20(30-2)28(34)31-25-15-9-14-24-18-23-16-17-32(19-26(23)33(24)29(25)35)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,30H,9,14-19H2,1-2H3,(H,31,34)/t20-,23+,24-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.50E+3	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