BDBM50430962 CHEMBL2337843

SMILES: C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1

InChI Key: InChIKey=VZMANQFEVRSMIN-WHDKMUDOSA-N

Data: 1 KI  4 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 = 50430962   

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 chymotrypsin-like (Homo sapiens (Human))	BDBM50430962 (CHEMBL2337843) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C98H117N13O17/c1-66(89(117)108-82(91(119)102-62-70-30-10-3-11-31-70)60-97(125)76-38-21-23-40-78(76)110-95(97)123)104-93(121)80(58-68-47-51-74(52-48-68)127-64-72-34-14-5-15-35-72)106-87(115)45-20-9-29-57-100-85(113)43-18-7-27-55-99-84(112)42-19-8-28-56-101-86(114)44-25-26-46-88(116)107-81(59-69-49-53-75(54-50-69)128-65-73-36-16-6-17-37-73)94(122)105-67(2)90(118)109-83(92(120)103-63-71-32-12-4-13-33-71)61-98(126)77-39-22-24-41-79(77)111-96(98)124/h3-6,10-17,21-24,30-41,47-54,66-67,80-83,125-126H,7-9,18-20,25-29,42-46,55-65H2,1-2H3,(H,99,112)(H,100,113)(H,101,114)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,115)(H,107,116)(H,108,117)(H,109,118)(H,110,123)(H,111,124)/t66-,67-,80-,81-,82-,83-,97+,98+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50430962 (CHEMBL2337843) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C98H117N13O17/c1-66(89(117)108-82(91(119)102-62-70-30-10-3-11-31-70)60-97(125)76-38-21-23-40-78(76)110-95(97)123)104-93(121)80(58-68-47-51-74(52-48-68)127-64-72-34-14-5-15-35-72)106-87(115)45-20-9-29-57-100-85(113)43-18-7-27-55-99-84(112)42-19-8-28-56-101-86(114)44-25-26-46-88(116)107-81(59-69-49-53-75(54-50-69)128-65-73-36-16-6-17-37-73)94(122)105-67(2)90(118)109-83(92(120)103-63-71-32-12-4-13-33-71)61-98(126)77-39-22-24-41-79(77)111-96(98)124/h3-6,10-17,21-24,30-41,47-54,66-67,80-83,125-126H,7-9,18-20,25-29,42-46,55-65H2,1-2H3,(H,99,112)(H,100,113)(H,101,114)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,115)(H,107,116)(H,108,117)(H,109,118)(H,110,123)(H,111,124)/t66-,67-,80-,81-,82-,83-,97+,98+/m0/s1	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	26	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as remaining ac...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Proteasome Macropain subunit (Homo sapiens (Human))	BDBM50430962 (CHEMBL2337843) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C98H117N13O17/c1-66(89(117)108-82(91(119)102-62-70-30-10-3-11-31-70)60-97(125)76-38-21-23-40-78(76)110-95(97)123)104-93(121)80(58-68-47-51-74(52-48-68)127-64-72-34-14-5-15-35-72)106-87(115)45-20-9-29-57-100-85(113)43-18-7-27-55-99-84(112)42-19-8-28-56-101-86(114)44-25-26-46-88(116)107-81(59-69-49-53-75(54-50-69)128-65-73-36-16-6-17-37-73)94(122)105-67(2)90(118)109-83(92(120)103-63-71-32-12-4-13-33-71)61-98(126)77-39-22-24-41-79(77)111-96(98)124/h3-6,10-17,21-24,30-41,47-54,66-67,80-83,125-126H,7-9,18-20,25-29,42-46,55-65H2,1-2H3,(H,99,112)(H,100,113)(H,101,114)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,115)(H,107,116)(H,108,117)(H,109,118)(H,110,123)(H,111,124)/t66-,67-,80-,81-,82-,83-,97+,98+/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Proteasome component C5 (Homo sapiens (Human))	BDBM50430962 (CHEMBL2337843) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C98H117N13O17/c1-66(89(117)108-82(91(119)102-62-70-30-10-3-11-31-70)60-97(125)76-38-21-23-40-78(76)110-95(97)123)104-93(121)80(58-68-47-51-74(52-48-68)127-64-72-34-14-5-15-35-72)106-87(115)45-20-9-29-57-100-85(113)43-18-7-27-55-99-84(112)42-19-8-28-56-101-86(114)44-25-26-46-88(116)107-81(59-69-49-53-75(54-50-69)128-65-73-36-16-6-17-37-73)94(122)105-67(2)90(118)109-83(92(120)103-63-71-32-12-4-13-33-71)61-98(126)77-39-22-24-41-79(77)111-96(98)124/h3-6,10-17,21-24,30-41,47-54,66-67,80-83,125-126H,7-9,18-20,25-29,42-46,55-65H2,1-2H3,(H,99,112)(H,100,113)(H,101,114)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,115)(H,107,116)(H,108,117)(H,109,118)(H,110,123)(H,111,124)/t66-,67-,80-,81-,82-,83-,97+,98+/m0/s1	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	590	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subunit using Z-LLE-betaNA as substrate assessed as remaining activity in...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50430962 (CHEMBL2337843) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C98H117N13O17/c1-66(89(117)108-82(91(119)102-62-70-30-10-3-11-31-70)60-97(125)76-38-21-23-40-78(76)110-95(97)123)104-93(121)80(58-68-47-51-74(52-48-68)127-64-72-34-14-5-15-35-72)106-87(115)45-20-9-29-57-100-85(113)43-18-7-27-55-99-84(112)42-19-8-28-56-101-86(114)44-25-26-46-88(116)107-81(59-69-49-53-75(54-50-69)128-65-73-36-16-6-17-37-73)94(122)105-67(2)90(118)109-83(92(120)103-63-71-32-12-4-13-33-71)61-98(126)77-39-22-24-41-79(77)111-96(98)124/h3-6,10-17,21-24,30-41,47-54,66-67,80-83,125-126H,7-9,18-20,25-29,42-46,55-65H2,1-2H3,(H,99,112)(H,100,113)(H,101,114)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,115)(H,107,116)(H,108,117)(H,109,118)(H,110,123)(H,111,124)/t66-,67-,80-,81-,82-,83-,97+,98+/m0/s1	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	541	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of proteasome beta-5 subunit in HEK293 cells using Suc-LLVY-Glo as substrate incubated for 2 hrs prior to su...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair