BDBM50462621 CHEMBL1813256::MLN-9708

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O

InChI Key: InChIKey=YTXSYWAKVMZICI-PVCZSOGJSA-N

Data: 3 IC50  1 Kd  1 EC50

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 = 50462621   

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 Macropain subunit (Homo sapiens (Human))	BDBM50462621 (CHEMBL1813256 | MLN-9708) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r| Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Forestry University Curated by ChEMBL					Assay Description Inhibition of trypsin-like activity of human 20S proteasome				Bioorg Med Chem 26: 3975-3981 (2018) Article DOI: 10.1016/j.bmc.2018.06.020 BindingDB Entry DOI: 10.7270/Q2Q81GQG
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50462621 (CHEMBL1813256 | MLN-9708) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r| Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	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 incubated for 10 mins followed by substra...				Bioorg Med Chem 26: 3975-3981 (2018) Article DOI: 10.1016/j.bmc.2018.06.020 BindingDB Entry DOI: 10.7270/Q2Q81GQG
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Staphylococcus aureus (strain NCTC 8325))	BDBM50462621 (CHEMBL1813256 | MLN-9708) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r| Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) assessed as shifting o...				J Med Chem 63: 3104-3119 (2020) Article DOI: 10.1021/acs.jmedchem.9b01746
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Staphylococcus aureus (strain NCTC 8325))	BDBM50462621 (CHEMBL1813256 | MLN-9708) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r| Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) by ITC analysis				J Med Chem 63: 3104-3119 (2020) Article DOI: 10.1021/acs.jmedchem.9b01746
					More data for this Ligand-Target Pair
Proteasome component C5 (Homo sapiens (Human))	BDBM50462621 (CHEMBL1813256 | MLN-9708) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O |r| Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Forestry University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of human 20S proteasome				Bioorg Med Chem 26: 3975-3981 (2018) Article DOI: 10.1016/j.bmc.2018.06.020 BindingDB Entry DOI: 10.7270/Q2Q81GQG
					More data for this Ligand-Target Pair