BDBM50007201 CHEMBL3237870

SMILES: [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cnccn1

InChI Key: InChIKey=VIWWVEXEYFBYDR-DRCYZRPYSA-N

Data: 3 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 3 hits for monomerid = 50007201   

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-7 (Homo sapiens (Human))	BDBM50007201 (CHEMBL3237870) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cnccn1 |r| Show InChI InChI=1S/C43H58BN5O7/c1-29(2)20-38(44-55-37-22-33-21-36(42(33,3)4)43(37,5)56-44)49-40(51)34(48-41(52)35-24-45-18-19-46-35)23-39(50)47-17-16-32(27-53-25-30-12-8-6-9-13-30)28-54-26-31-14-10-7-11-15-31/h6-15,18-19,24,29,32-34,36-38H,16-17,20-23,25-28H2,1-5H3,(H,47,50)(H,48,52)(H,49,51)/t33-,34-,36-,37+,38-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate				J Med Chem 57: 2726-35 (2014) Article DOI: 10.1021/jm500045x BindingDB Entry DOI: 10.7270/Q24M961D
					More data for this Ligand-Target Pair
Proteasome subunit beta type-7 (Homo sapiens (Human))	BDBM50007201 (CHEMBL3237870) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cnccn1 |r| Show InChI InChI=1S/C43H58BN5O7/c1-29(2)20-38(44-55-37-22-33-21-36(42(33,3)4)43(37,5)56-44)49-40(51)34(48-41(52)35-24-45-18-19-46-35)23-39(50)47-17-16-32(27-53-25-30-12-8-6-9-13-30)28-54-26-31-14-10-7-11-15-31/h6-15,18-19,24,29,32-34,36-38H,16-17,20-23,25-28H2,1-5H3,(H,47,50)(H,48,52)(H,49,51)/t33-,34-,36-,37+,38-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate				J Med Chem 57: 2726-35 (2014) Article DOI: 10.1021/jm500045x BindingDB Entry DOI: 10.7270/Q24M961D
					More data for this Ligand-Target Pair
Proteasome subunit beta type-7 (Homo sapiens (Human))	BDBM50007201 (CHEMBL3237870) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cnccn1 |r| Show InChI InChI=1S/C43H58BN5O7/c1-29(2)20-38(44-55-37-22-33-21-36(42(33,3)4)43(37,5)56-44)49-40(51)34(48-41(52)35-24-45-18-19-46-35)23-39(50)47-17-16-32(27-53-25-30-12-8-6-9-13-30)28-54-26-31-14-10-7-11-15-31/h6-15,18-19,24,29,32-34,36-38H,16-17,20-23,25-28H2,1-5H3,(H,47,50)(H,48,52)(H,49,51)/t33-,34-,36-,37+,38-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of trypsin-like activity of human 20S proteasome using Ac-RLR-AMC as substrate				J Med Chem 57: 2726-35 (2014) Article DOI: 10.1021/jm500045x BindingDB Entry DOI: 10.7270/Q24M961D
					More data for this Ligand-Target Pair