BDBM50469762 CHEMBL432281

SMILES: COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](NCc2cc(OC)c(OC)c(OC)c2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)(C)C)C(C)C)c(O)c1

InChI Key: InChIKey=JCRBJSMMUYLNFZ-QDOXLBSESA-N

Data: 1 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 1 hit for monomerid = 50469762   

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
20S proteasome (Homo sapiens (Human))	BDBM50469762 (CHEMBL432281) Show SMILES COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](NCc2cc(OC)c(OC)c(OC)c2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)(C)C)C(C)C)c(O)c1 Show InChI InChI=1S/C52H65N5O10/c1-31(2)44(49(61)54-30-36-22-23-37(64-6)28-40(36)58)57-50(62)45(53-29-33-25-41(65-7)47(67-9)42(26-33)66-8)46(60)39(24-32-16-11-10-12-17-32)55-51(63)48(52(3,4)5)56-43(59)27-35-20-15-19-34-18-13-14-21-38(34)35/h10-23,25-26,28,31,39,44-46,48,53,58,60H,24,27,29-30H2,1-9H3,(H,54,61)(H,55,63)(H,56,59)(H,57,62)/t39-,44-,45+,46+,48+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Inc. Curated by ChEMBL					Assay Description Tested in vitro for inhibition of chymotrypsin like activity of purified human 20S proteasome				Bioorg Med Chem Lett 12: 1331-4 (2002) Article DOI: 10.1016/s0960-894x(02)00178-6 BindingDB Entry DOI: 10.7270/Q27D2XV2
					More data for this Ligand-Target Pair