BDBM50475041 CHEMBL181131::TP-104

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1cccc2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C=O

InChI Key: InChIKey=BOKINRZKCHWTCT-ODYHTTIYSA-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 = 50475041   

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))	BDBM50475041 (CHEMBL181131 | TP-104) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1cccc2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C=O Show InChI InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-27(21-39)18-23-10-14-28(40)15-11-23)38-34(43)31(19-24-12-16-29(41)17-13-24)37-32(42)20-26-8-5-7-25-6-3-4-9-30(25)26/h3-17,21-22,27,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t27?,31-,33-/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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Numazu Bio-Medical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration to inhibit the PGPH activity of 20S proteasome prepared from human leukemia HL-60 cells was determined				Bioorg Med Chem Lett 15: 1867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.02.013 BindingDB Entry DOI: 10.7270/Q2CF9SVN
					More data for this Ligand-Target Pair
20S proteasome (Homo sapiens (Human))	BDBM50475041 (CHEMBL181131 | TP-104) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1cccc2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C=O Show InChI InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-27(21-39)18-23-10-14-28(40)15-11-23)38-34(43)31(19-24-12-16-29(41)17-13-24)37-32(42)20-26-8-5-7-25-6-3-4-9-30(25)26/h3-17,21-22,27,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t27?,31-,33-/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Numazu Bio-Medical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration to inhibit trypsin-like activity of 20S proteasome from human leukemia HL-60 cells was determined				Bioorg Med Chem Lett 15: 1867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.02.013 BindingDB Entry DOI: 10.7270/Q2CF9SVN
					More data for this Ligand-Target Pair
20S proteasome (Homo sapiens (Human))	BDBM50475041 (CHEMBL181131 | TP-104) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1cccc2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C=O Show InChI InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-27(21-39)18-23-10-14-28(40)15-11-23)38-34(43)31(19-24-12-16-29(41)17-13-24)37-32(42)20-26-8-5-7-25-6-3-4-9-30(25)26/h3-17,21-22,27,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t27?,31-,33-/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
Numazu Bio-Medical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration to inhibit chymotrypsin-like activity of 20S proteasome prepared from human leukemia HL-60 cells was determined				Bioorg Med Chem Lett 15: 1867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.02.013 BindingDB Entry DOI: 10.7270/Q2CF9SVN
					More data for this Ligand-Target Pair