BindingDB PrimarySearch

BDBM50393505 CHEMBL2158051

SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C

InChI Key: InChIKey=LSXUTRRVVSPWDZ-MKKUMYSQSA-N

Data: 4 KI 16 IC50 1 Kd 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50393505
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate				Bioorg Med Chem Lett 30: (2020)
Australian National University Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs without 6...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs with...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs afte...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs afte...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs without 6...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs with...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate				Bioorg Med Chem Lett 30: (2020)
Australian National University Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of apoptosis protein 3 (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at full-length FLAG-tagged XIAP (unknown origin) transfected in HEK293 cells assessed as inhibition of interaction with caspase 9...				J Med Chem 58: 6574-88 (2015) BindingDB Entry DOI: 10.7270/Q2DR2X8F
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate				Bioorg Med Chem Lett 30: (2020)
Australian National University Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50393505 (CHEMBL2158051) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair