BDBM50523559 CHEMBL4573907

SMILES: COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C

InChI Key: InChIKey=SVEGMNKHZVDHDG-BMYMHALSSA-N

Data: 5 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 = 50523559   

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
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human))	BDBM50523559 (CHEMBL4573907) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C47H61N7O8/c1-46(2,3)39(51-44(58)60-7)41(55)50-37(28-32-19-13-10-14-20-32)38(62-43(57)35(48)27-31-17-11-9-12-18-31)30-54(53-42(56)40(47(4,5)6)52-45(59)61-8)29-33-22-24-34(25-23-33)36-21-15-16-26-49-36/h9-26,35,37-40H,27-30,48H2,1-8H3,(H,50,55)(H,51,58)(H,52,59)(H,53,56)/t35-,37-,38-,39+,40+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human UGT1A1 using bilirubin as substrate preincubated for 5 mins followed by substrate addition and measured after 40 mins...				J Med Chem 62: 3553-3574 (2019) Article DOI: 10.1021/acs.jmedchem.9b00002
					More data for this Ligand-Target Pair
UDP-glucuronosyltransferase 1A1 (Rattus norvegicus)	BDBM50523559 (CHEMBL4573907) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C47H61N7O8/c1-46(2,3)39(51-44(58)60-7)41(55)50-37(28-32-19-13-10-14-20-32)38(62-43(57)35(48)27-31-17-11-9-12-18-31)30-54(53-42(56)40(47(4,5)6)52-45(59)61-8)29-33-22-24-34(25-23-33)36-21-15-16-26-49-36/h9-26,35,37-40H,27-30,48H2,1-8H3,(H,50,55)(H,51,58)(H,52,59)(H,53,56)/t35-,37-,38-,39+,40+/m0/s1	MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant rat UGT1A1 using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured after 40 m...				J Med Chem 62: 3553-3574 (2019) Article DOI: 10.1021/acs.jmedchem.9b00002
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50523559 (CHEMBL4573907) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C47H61N7O8/c1-46(2,3)39(51-44(58)60-7)41(55)50-37(28-32-19-13-10-14-20-32)38(62-43(57)35(48)27-31-17-11-9-12-18-31)30-54(53-42(56)40(47(4,5)6)52-45(59)61-8)29-33-22-24-34(25-23-33)36-21-15-16-26-49-36/h9-26,35,37-40H,27-30,48H2,1-8H3,(H,50,55)(H,51,58)(H,52,59)(H,53,56)/t35-,37-,38-,39+,40+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				J Med Chem 62: 3553-3574 (2019) Article DOI: 10.1021/acs.jmedchem.9b00002
					More data for this Ligand-Target Pair
UDP-glucuronosyltransferase 1A1 (Rattus norvegicus)	BDBM50523559 (CHEMBL4573907) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C47H61N7O8/c1-46(2,3)39(51-44(58)60-7)41(55)50-37(28-32-19-13-10-14-20-32)38(62-43(57)35(48)27-31-17-11-9-12-18-31)30-54(53-42(56)40(47(4,5)6)52-45(59)61-8)29-33-22-24-34(25-23-33)36-21-15-16-26-49-36/h9-26,35,37-40H,27-30,48H2,1-8H3,(H,50,55)(H,51,58)(H,52,59)(H,53,56)/t35-,37-,38-,39+,40+/m0/s1	MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of UGT1A1 in rat liver microsomes using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured af...				J Med Chem 62: 3553-3574 (2019) Article DOI: 10.1021/acs.jmedchem.9b00002
					More data for this Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human))	BDBM50523559 (CHEMBL4573907) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C47H61N7O8/c1-46(2,3)39(51-44(58)60-7)41(55)50-37(28-32-19-13-10-14-20-32)38(62-43(57)35(48)27-31-17-11-9-12-18-31)30-54(53-42(56)40(47(4,5)6)52-45(59)61-8)29-33-22-24-34(25-23-33)36-21-15-16-26-49-36/h9-26,35,37-40H,27-30,48H2,1-8H3,(H,50,55)(H,51,58)(H,52,59)(H,53,56)/t35-,37-,38-,39+,40+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of UGT1A1 in human liver microsomes using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured ...				J Med Chem 62: 3553-3574 (2019) Article DOI: 10.1021/acs.jmedchem.9b00002
					More data for this Ligand-Target Pair