BindingDB PrimarySearch

BDBM50398609 CHEMBL2141296::IXAZOMIB CITRATE::Ixazomib::MLN2238::NINLARO

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O

InChI Key: InChIKey=MXAYKZJJDUDWDS-LBPRGKRZSA-N

Data: 9 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50398609
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
Proteasome component C5 (Homo sapiens (Human))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 after 30 mins by fluorogenic assay				J Med Chem 55: 10317-27 (2012) Article DOI: 10.1021/jm300434z BindingDB Entry DOI: 10.7270/Q2668FBF
University of California-San Diego Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome Macropain subunit (Homo sapiens (Human))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay				J Med Chem 55: 10317-27 (2012) Article DOI: 10.1021/jm300434z BindingDB Entry DOI: 10.7270/Q2668FBF
University of California-San Diego Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta5 after 30 mins by fluorogenic assay				J Med Chem 55: 10317-27 (2012) Article DOI: 10.1021/jm300434z BindingDB Entry DOI: 10.7270/Q2668FBF
University of California-San Diego Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Forestry University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 10 mins followed by substra...				Bioorg Med Chem 26: 3975-3981 (2018) Article DOI: 10.1016/j.bmc.2018.06.020 BindingDB Entry DOI: 10.7270/Q2Q81GQG
Nanjing Forestry University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent Clp protease proteolytic subunit (Staphylococcus aureus (strain NCTC 8325))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins be...				J Med Chem 63: 3104-3119 (2020) Article DOI: 10.1021/acs.jmedchem.9b01746
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of 20S proteasome beta 1c (unknown origin) after 1 hr by fluorescence based assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111646
Hangzhou Xixi Hospital Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
20S proteasome (Homo sapiens (Human))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of 20S proteasome beta 2c (unknown origin) after 1 hr by fluorescence based assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111646
Hangzhou Xixi Hospital Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by fluorescence based assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111646
Hangzhou Xixi Hospital Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent Clp protease proteolytic subunit (Staphylococcus aureus (strain NCTC 8325))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...				J Med Chem 63: 3104-3119 (2020) Article DOI: 10.1021/acs.jmedchem.9b01746
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
20S proteasome (Homo sapiens (Human))	BDBM50398609 (CHEMBL2141296 \| IXAZOMIB CITRATE \| Ixazomib \| MLN2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured every 5 mins for 120 mins by fluorescence based assay				J Med Chem 63: 334-348 (2020) Article DOI: 10.1021/acs.jmedchem.9b01694
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)