null

SMILES: CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12

InChI Key: InChIKey=ZYKUINLWYTZBHX-FAQZDJIUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 44346   

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))	BDBM44346 (CHEMBL1617821 | MLS-0412198.0001 | benzyl N-[(4S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C32H41N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-10,12-17,21-22,27-28,33H,11,18-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 4253-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.096 BindingDB Entry DOI: 10.7270/Q2BC40ZK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44346 (CHEMBL1617821 | MLS-0412198.0001 | benzyl N-[(4S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C32H41N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-10,12-17,21-22,27-28,33H,11,18-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 4253-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.096 BindingDB Entry DOI: 10.7270/Q2BC40ZK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44346 (CHEMBL1617821 | MLS-0412198.0001 | benzyl N-[(4S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C32H41N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-10,12-17,21-22,27-28,33H,11,18-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FN14KV
					More data for this Ligand-Target Pair