BDBM50163693 CHEMBL3793093

SMILES: [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=VNAZSZXKUOSAJQ-UABWQTQTSA-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 = 50163693   

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 chymotrypsin-like (Homo sapiens (Human))	BDBM50163693 (CHEMBL3793093) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C39H45BN2O4/c1-24(2)19-35(40-45-34-23-30-22-33(38(30,3)4)39(34,5)46-40)42-37(44)32(21-28-15-10-14-26-12-8-9-16-31(26)28)41-36(43)29-18-17-25-11-6-7-13-27(25)20-29/h6-18,20,24,30,32-35H,19,21-23H2,1-5H3,(H,41,43)(H,42,44)/t30-,32-,33-,34?,35-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.07E+8	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 preincubated for 10 mins followed by subs...				Bioorg Med Chem 24: 2576-88 (2016) BindingDB Entry DOI: 10.7270/Q2P84DSC
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50163693 (CHEMBL3793093) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C39H45BN2O4/c1-24(2)19-35(40-45-34-23-30-22-33(38(30,3)4)39(34,5)46-40)42-37(44)32(21-28-15-10-14-26-12-8-9-16-31(26)28)41-36(43)29-18-17-25-11-6-7-13-27(25)20-29/h6-18,20,24,30,32-35H,19,21-23H2,1-5H3,(H,41,43)(H,42,44)/t30-,32-,33-,34?,35-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	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 preincubated for 10 mins followed by subs...				Bioorg Med Chem 24: 2576-88 (2016) BindingDB Entry DOI: 10.7270/Q2P84DSC
					More data for this Ligand-Target Pair