BDBM50163689 CHEMBL3794207

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)c1cccc2CCCCc12

InChI Key: InChIKey=QBAGLGWWLNDWPB-RESCHQAWSA-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 = 50163689   

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))	BDBM50163689 (CHEMBL3794207) 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)c1cccc2CCCCc12 |r| Show InChI InChI=1S/C39H49BN2O4/c1-24(2)20-35(40-45-34-23-28-22-33(38(28,3)4)39(34,5)46-40)42-37(44)32(21-27-16-10-14-25-12-6-8-17-29(25)27)41-36(43)31-19-11-15-26-13-7-9-18-30(26)31/h6,8,10-12,14-17,19,24,28,32-35H,7,9,13,18,20-23H2,1-5H3,(H,41,43)(H,42,44)/t28-,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	7.41E+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))	BDBM50163689 (CHEMBL3794207) 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)c1cccc2CCCCc12 |r| Show InChI InChI=1S/C39H49BN2O4/c1-24(2)20-35(40-45-34-23-28-22-33(38(28,3)4)39(34,5)46-40)42-37(44)32(21-27-16-10-14-25-12-6-8-17-29(25)27)41-36(43)31-19-11-15-26-13-7-9-18-30(26)31/h6,8,10-12,14-17,19,24,28,32-35H,7,9,13,18,20-23H2,1-5H3,(H,41,43)(H,42,44)/t28-,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	1.30	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