BDBM50444888 CHEMBL3099621

SMILES: [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1

InChI Key: InChIKey=PKNBFDFVPXQOMJ-UHFFFAOYSA-N

Data: 2 KI  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 5 hits for monomerid = 50444888   

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 component C5 (Homo sapiens (Human))	BDBM50444888 (CHEMBL3099621) Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Competitive inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate Linewea...				Eur J Med Chem 71: 290-305 (2014) Article DOI: 10.1016/j.ejmech.2013.11.009 BindingDB Entry DOI: 10.7270/Q2222W81
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50444888 (CHEMBL3099621) Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Noncompetitive inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogeni...				Eur J Med Chem 71: 290-305 (2014) Article DOI: 10.1016/j.ejmech.2013.11.009 BindingDB Entry DOI: 10.7270/Q2222W81
					More data for this Ligand-Target Pair
Proteasome component C5 (Homo sapiens (Human))	BDBM50444888 (CHEMBL3099621) Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...				Eur J Med Chem 71: 290-305 (2014) Article DOI: 10.1016/j.ejmech.2013.11.009 BindingDB Entry DOI: 10.7270/Q2222W81
					More data for this Ligand-Target Pair
Proteasome Macropain subunit (Homo sapiens (Human))	BDBM50444888 (CHEMBL3099621) Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...				Eur J Med Chem 71: 290-305 (2014) Article DOI: 10.1016/j.ejmech.2013.11.009 BindingDB Entry DOI: 10.7270/Q2222W81
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50444888 (CHEMBL3099621) Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...				Eur J Med Chem 71: 290-305 (2014) Article DOI: 10.1016/j.ejmech.2013.11.009 BindingDB Entry DOI: 10.7270/Q2222W81
					More data for this Ligand-Target Pair