BDBM50516212 CHEMBL4577554

SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(C)ccc1F

InChI Key: InChIKey=HZBAESLIWNNWOO-NRFANRHFSA-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 = 50516212   

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))	BDBM50516212 (CHEMBL4577554) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(C)ccc1F |r| Show InChI InChI=1S/C25H33FN4O5S/c1-16-6-9-18(10-7-16)36(34,35)30-21(15-22(31)29-25(3,4)5)24(33)28-13-12-27-23(32)19-14-17(2)8-11-20(19)26/h6-11,14,21,30H,12-13,15H2,1-5H3,(H,27,32)(H,28,33)(H,29,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medicine Curated by ChEMBL					Assay Description Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate				J Med Chem 62: 6137-6145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00363
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50516212 (CHEMBL4577554) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(C)ccc1F |r| Show InChI InChI=1S/C25H33FN4O5S/c1-16-6-9-18(10-7-16)36(34,35)30-21(15-22(31)29-25(3,4)5)24(33)28-13-12-27-23(32)19-14-17(2)8-11-20(19)26/h6-11,14,21,30H,12-13,15H2,1-5H3,(H,27,32)(H,28,33)(H,29,31)/t21-/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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medicine Curated by ChEMBL					Assay Description Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate				J Med Chem 62: 6137-6145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00363
					More data for this Ligand-Target Pair