BDBM50458002 CHEMBL4212914

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O

InChI Key: InChIKey=VPDBSKOWEPRFMT-DZCXQCEKSA-N

Data: 6 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 6 hits for monomerid = 50458002   

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))	BDBM50458002 (CHEMBL4212914) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C52H103N33O11/c1-27(86)78-29(11-3-19-70-46(55)56)38(90)80-31(13-5-21-72-48(59)60)40(92)82-33(15-7-23-74-50(63)64)42(94)84-35(17-9-25-76-52(67)68)44(96)85-34(16-8-24-75-51(65)66)43(95)83-32(14-6-22-73-49(61)62)41(93)81-30(12-4-20-71-47(57)58)39(91)79-28(10-2-18-69-45(53)54)37(89)77-26-36(87)88/h28-35H,2-26H2,1H3,(H,77,89)(H,78,86)(H,79,91)(H,80,90)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,96)(H,87,88)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagahama Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay				Eur J Med Chem 146: 636-650 (2018) Article DOI: 10.1016/j.ejmech.2018.01.045 BindingDB Entry DOI: 10.7270/Q2DF6TV7
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50458002 (CHEMBL4212914) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C52H103N33O11/c1-27(86)78-29(11-3-19-70-46(55)56)38(90)80-31(13-5-21-72-48(59)60)40(92)82-33(15-7-23-74-50(63)64)42(94)84-35(17-9-25-76-52(67)68)44(96)85-34(16-8-24-75-51(65)66)43(95)83-32(14-6-22-73-49(61)62)41(93)81-30(12-4-20-71-47(57)58)39(91)79-28(10-2-18-69-45(53)54)37(89)77-26-36(87)88/h28-35H,2-26H2,1H3,(H,77,89)(H,78,86)(H,79,91)(H,80,90)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,96)(H,87,88)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagahama Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay				Eur J Med Chem 146: 636-650 (2018) Article DOI: 10.1016/j.ejmech.2018.01.045 BindingDB Entry DOI: 10.7270/Q2DF6TV7
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50458002 (CHEMBL4212914) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C52H103N33O11/c1-27(86)78-29(11-3-19-70-46(55)56)38(90)80-31(13-5-21-72-48(59)60)40(92)82-33(15-7-23-74-50(63)64)42(94)84-35(17-9-25-76-52(67)68)44(96)85-34(16-8-24-75-51(65)66)43(95)83-32(14-6-22-73-49(61)62)41(93)81-30(12-4-20-71-47(57)58)39(91)79-28(10-2-18-69-45(53)54)37(89)77-26-36(87)88/h28-35H,2-26H2,1H3,(H,77,89)(H,78,86)(H,79,91)(H,80,90)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,96)(H,87,88)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagahama Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay				Eur J Med Chem 146: 636-650 (2018) Article DOI: 10.1016/j.ejmech.2018.01.045 BindingDB Entry DOI: 10.7270/Q2DF6TV7
					More data for this Ligand-Target Pair
Proteasome component C5 (Homo sapiens (Human))	BDBM50458002 (CHEMBL4212914) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C52H103N33O11/c1-27(86)78-29(11-3-19-70-46(55)56)38(90)80-31(13-5-21-72-48(59)60)40(92)82-33(15-7-23-74-50(63)64)42(94)84-35(17-9-25-76-52(67)68)44(96)85-34(16-8-24-75-51(65)66)43(95)83-32(14-6-22-73-49(61)62)41(93)81-30(12-4-20-71-47(57)58)39(91)79-28(10-2-18-69-45(53)54)37(89)77-26-36(87)88/h28-35H,2-26H2,1H3,(H,77,89)(H,78,86)(H,79,91)(H,80,90)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,96)(H,87,88)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagahama Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of PGPH activity of human 26S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay				Eur J Med Chem 146: 636-650 (2018) Article DOI: 10.1016/j.ejmech.2018.01.045 BindingDB Entry DOI: 10.7270/Q2DF6TV7
					More data for this Ligand-Target Pair
Proteasome Macropain subunit (Homo sapiens (Human))	BDBM50458002 (CHEMBL4212914) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C52H103N33O11/c1-27(86)78-29(11-3-19-70-46(55)56)38(90)80-31(13-5-21-72-48(59)60)40(92)82-33(15-7-23-74-50(63)64)42(94)84-35(17-9-25-76-52(67)68)44(96)85-34(16-8-24-75-51(65)66)43(95)83-32(14-6-22-73-49(61)62)41(93)81-30(12-4-20-71-47(57)58)39(91)79-28(10-2-18-69-45(53)54)37(89)77-26-36(87)88/h28-35H,2-26H2,1H3,(H,77,89)(H,78,86)(H,79,91)(H,80,90)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,96)(H,87,88)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagahama Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of trypsin-like activity of human 26S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay				Eur J Med Chem 146: 636-650 (2018) Article DOI: 10.1016/j.ejmech.2018.01.045 BindingDB Entry DOI: 10.7270/Q2DF6TV7
					More data for this Ligand-Target Pair
Proteasome Macropain subunit (Homo sapiens (Human))	BDBM50458002 (CHEMBL4212914) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C52H103N33O11/c1-27(86)78-29(11-3-19-70-46(55)56)38(90)80-31(13-5-21-72-48(59)60)40(92)82-33(15-7-23-74-50(63)64)42(94)84-35(17-9-25-76-52(67)68)44(96)85-34(16-8-24-75-51(65)66)43(95)83-32(14-6-22-73-49(61)62)41(93)81-30(12-4-20-71-47(57)58)39(91)79-28(10-2-18-69-45(53)54)37(89)77-26-36(87)88/h28-35H,2-26H2,1H3,(H,77,89)(H,78,86)(H,79,91)(H,80,90)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,96)(H,87,88)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagahama Institute of Bio-Science and Technology Curated by ChEMBL					Assay Description Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay				Eur J Med Chem 146: 636-650 (2018) Article DOI: 10.1016/j.ejmech.2018.01.045 BindingDB Entry DOI: 10.7270/Q2DF6TV7
					More data for this Ligand-Target Pair