BDBM50458005 CHEMBL4212383

SMILES: NCC(=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(N)=O

InChI Key: InChIKey=GBWDHKBLRMDDCK-DKTXOJPGSA-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 = 50458005   

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))	BDBM50458005 (CHEMBL4212383) Show SMILES NCC(=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(N)=O |r| Show InChI InChI=1S/C50H102N34O9/c51-25-34(85)77-27(10-2-18-70-44(55)56)36(87)79-29(12-4-20-72-46(59)60)38(89)81-31(14-6-22-74-48(63)64)40(91)83-33(16-8-24-76-50(67)68)42(93)84-32(15-7-23-75-49(65)66)41(92)82-30(13-5-21-73-47(61)62)39(90)80-28(11-3-19-71-45(57)58)37(88)78-26(35(52)86)9-1-17-69-43(53)54/h26-33H,1-25,51H2,(H2,52,86)(H,77,85)(H,78,88)(H,79,87)(H,80,90)(H,81,89)(H,82,92)(H,83,91)(H,84,93)(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)/t26-,27-,28-,29-,30-,31-,32-,33-/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
Proteasome Macropain subunit (Homo sapiens (Human))	BDBM50458005 (CHEMBL4212383) Show SMILES NCC(=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(N)=O |r| Show InChI InChI=1S/C50H102N34O9/c51-25-34(85)77-27(10-2-18-70-44(55)56)36(87)79-29(12-4-20-72-46(59)60)38(89)81-31(14-6-22-74-48(63)64)40(91)83-33(16-8-24-76-50(67)68)42(93)84-32(15-7-23-75-49(65)66)41(92)82-30(13-5-21-73-47(61)62)39(90)80-28(11-3-19-71-45(57)58)37(88)78-26(35(52)86)9-1-17-69-43(53)54/h26-33H,1-25,51H2,(H2,52,86)(H,77,85)(H,78,88)(H,79,87)(H,80,90)(H,81,89)(H,82,92)(H,83,91)(H,84,93)(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)/t26-,27-,28-,29-,30-,31-,32-,33-/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 subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50458005 (CHEMBL4212383) Show SMILES NCC(=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(N)=O |r| Show InChI InChI=1S/C50H102N34O9/c51-25-34(85)77-27(10-2-18-70-44(55)56)36(87)79-29(12-4-20-72-46(59)60)38(89)81-31(14-6-22-74-48(63)64)40(91)83-33(16-8-24-76-50(67)68)42(93)84-32(15-7-23-75-49(65)66)41(92)82-30(13-5-21-73-47(61)62)39(90)80-28(11-3-19-71-45(57)58)37(88)78-26(35(52)86)9-1-17-69-43(53)54/h26-33H,1-25,51H2,(H2,52,86)(H,77,85)(H,78,88)(H,79,87)(H,80,90)(H,81,89)(H,82,92)(H,83,91)(H,84,93)(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)/t26-,27-,28-,29-,30-,31-,32-,33-/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 subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50458005 (CHEMBL4212383) Show SMILES NCC(=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(N)=O |r| Show InChI InChI=1S/C50H102N34O9/c51-25-34(85)77-27(10-2-18-70-44(55)56)36(87)79-29(12-4-20-72-46(59)60)38(89)81-31(14-6-22-74-48(63)64)40(91)83-33(16-8-24-76-50(67)68)42(93)84-32(15-7-23-75-49(65)66)41(92)82-30(13-5-21-73-47(61)62)39(90)80-28(11-3-19-71-45(57)58)37(88)78-26(35(52)86)9-1-17-69-43(53)54/h26-33H,1-25,51H2,(H2,52,86)(H,77,85)(H,78,88)(H,79,87)(H,80,90)(H,81,89)(H,82,92)(H,83,91)(H,84,93)(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)/t26-,27-,28-,29-,30-,31-,32-,33-/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 component C5 (Homo sapiens (Human))	BDBM50458005 (CHEMBL4212383) Show SMILES NCC(=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(N)=O |r| Show InChI InChI=1S/C50H102N34O9/c51-25-34(85)77-27(10-2-18-70-44(55)56)36(87)79-29(12-4-20-72-46(59)60)38(89)81-31(14-6-22-74-48(63)64)40(91)83-33(16-8-24-76-50(67)68)42(93)84-32(15-7-23-75-49(65)66)41(92)82-30(13-5-21-73-47(61)62)39(90)80-28(11-3-19-71-45(57)58)37(88)78-26(35(52)86)9-1-17-69-43(53)54/h26-33H,1-25,51H2,(H2,52,86)(H,77,85)(H,78,88)(H,79,87)(H,80,90)(H,81,89)(H,82,92)(H,83,91)(H,84,93)(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)/t26-,27-,28-,29-,30-,31-,32-,33-/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 component C5 (Homo sapiens (Human))	BDBM50458005 (CHEMBL4212383) Show SMILES NCC(=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(N)=O |r| Show InChI InChI=1S/C50H102N34O9/c51-25-34(85)77-27(10-2-18-70-44(55)56)36(87)79-29(12-4-20-72-46(59)60)38(89)81-31(14-6-22-74-48(63)64)40(91)83-33(16-8-24-76-50(67)68)42(93)84-32(15-7-23-75-49(65)66)41(92)82-30(13-5-21-73-47(61)62)39(90)80-28(11-3-19-71-45(57)58)37(88)78-26(35(52)86)9-1-17-69-43(53)54/h26-33H,1-25,51H2,(H2,52,86)(H,77,85)(H,78,88)(H,79,87)(H,80,90)(H,81,89)(H,82,92)(H,83,91)(H,84,93)(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)/t26-,27-,28-,29-,30-,31-,32-,33-/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