BDBM50001086 CHEMBL3236372

SMILES: [H][C@]12C[C@@]3([H])CCN(CCC4=C(C)OCN4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC

InChI Key: InChIKey=SPERLGASUQJAQR-KTHBTQLJSA-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 = 50001086   

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))	BDBM50001086 (CHEMBL3236372) Show SMILES [H][C@]12C[C@@]3([H])CCN(CCC4=C(C)OCN4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r,c:10| Show InChI InChI=1S/C23H39N5O3/c1-15(24-3)22(29)25-19-7-5-6-18-12-17-8-10-27(13-21(17)28(18)23(19)30)11-9-20-16(2)31-14-26(20)4/h15,17-19,21,24H,5-14H2,1-4H3,(H,25,29)/t15-,17+,18-,19-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50001086 (CHEMBL3236372) Show SMILES [H][C@]12C[C@@]3([H])CCN(CCC4=C(C)OCN4C)C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC |r,c:10| Show InChI InChI=1S/C23H39N5O3/c1-15(24-3)22(29)25-19-7-5-6-18-12-17-8-10-27(13-21(17)28(18)23(19)30)11-9-20-16(2)31-14-26(20)4/h15,17-19,21,24H,5-14H2,1-4H3,(H,25,29)/t15-,17+,18-,19-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+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