BDBM50099829 CHEMBL3319584

SMILES: COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1

InChI Key: InChIKey=PNVONHQAGBQVCW-LURJTMIESA-N

Data: 9 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 9 hits for monomerid = 50099829   

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
26S proteosome (Homo sapiens (Human))	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden Institute of Chemistry and Netherlands Proteomics Centre Curated by ChEMBL					Assay Description Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry				J Med Chem 57: 6197-209 (2014) Article DOI: 10.1021/jm500716s BindingDB Entry DOI: 10.7270/Q2BR8TZT
					More data for this Ligand-Target Pair
26S proteosome (Homo sapiens (Human))	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Kezar Life Sciences Curated by ChEMBL					Assay Description Inhibition of LMP7 in human MOLT4 cells by ELISA				J Med Chem 61: 11127-11143 (2018) Article DOI: 10.1021/acs.jmedchem.8b01201
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kezar Life Sciences Curated by ChEMBL					Assay Description Inhibition of 20S proteosome beta 5 in human MOLT4 cells by ELISA				J Med Chem 61: 11127-11143 (2018) Article DOI: 10.1021/acs.jmedchem.8b01201
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Mus musculus)	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	764	n/a	n/a	n/a	n/a	n/a	n/a
Kezar Life Sciences Curated by ChEMBL					Assay Description Inhibition of LMP7 in mouse A20 cells by ELISA				J Med Chem 61: 11127-11143 (2018) Article DOI: 10.1021/acs.jmedchem.8b01201
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Mus musculus)	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	764	n/a	n/a	n/a	n/a	n/a	n/a
Kezar Life Sciences Curated by ChEMBL					Assay Description Inhibition of LMP7 in mouse A20 cells by ELISA				J Med Chem 61: 11127-11143 (2018) Article DOI: 10.1021/acs.jmedchem.8b01201
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Mus musculus)	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kezar Life Sciences Curated by ChEMBL					Assay Description Inhibition of 20S proteosome beta 5 in mouse A20 cells by ELISA				J Med Chem 61: 11127-11143 (2018) Article DOI: 10.1021/acs.jmedchem.8b01201
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Mus musculus)	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kezar Life Sciences Curated by ChEMBL					Assay Description Inhibition of 20S proteosome beta 5 in mouse A20 cells by ELISA				J Med Chem 61: 11127-11143 (2018) Article DOI: 10.1021/acs.jmedchem.8b01201
					More data for this Ligand-Target Pair
26S proteosome (Homo sapiens (Human))	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Kezar Life Sciences Curated by ChEMBL					Assay Description Inhibition of LMP7 in human MOLT4 cells by ELISA				J Med Chem 61: 11127-11143 (2018) Article DOI: 10.1021/acs.jmedchem.8b01201
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50099829 (CHEMBL3319584) Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kezar Life Sciences Curated by ChEMBL					Assay Description Inhibition of 20S proteosome beta 5 in human MOLT4 cells by ELISA				J Med Chem 61: 11127-11143 (2018) Article DOI: 10.1021/acs.jmedchem.8b01201
					More data for this Ligand-Target Pair