BDBM50536458 CHEMBL4556673

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=JMYRLLDWQJZCBL-MDAOHFTBSA-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 = 50536458   

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
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50536458 (CHEMBL4556673) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H44N6O5/c1-26(2)21-32(36(47)40(3)25-51-40)42-37(48)33(22-27-13-6-4-7-14-27)43-38(49)34(24-30-19-12-18-29-17-10-11-20-31(29)30)44-39(50)35(45-46-41)23-28-15-8-5-9-16-28/h4-20,26,32-35H,21-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Leiden Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based co...				J Med Chem 59: 7177-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00705
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50536458 (CHEMBL4556673) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H44N6O5/c1-26(2)21-32(36(47)40(3)25-51-40)42-37(48)33(22-27-13-6-4-7-14-27)43-38(49)34(24-30-19-12-18-29-17-10-11-20-31(29)30)44-39(50)35(45-46-41)23-28-15-8-5-9-16-28/h4-20,26,32-35H,21-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Leiden Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe b...				J Med Chem 59: 7177-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00705
					More data for this Ligand-Target Pair