BDBM50091607 1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(5-hydroxymethyl-furo[2,3-b]pyridin-2-ylmethyl)-piperazine-2-carboxylic acid tert-butylamide::CHEMBL116052

SMILES: CC(C)(C)NC(=O)C1CN(Cc2cc3cc(CO)cnc3o2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12

InChI Key: InChIKey=HGLNUSNAKTZJGO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50091607   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50091607 (1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...) Show SMILES CC(C)(C)NC(=O)C1CN(Cc2cc3cc(CO)cnc3o2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C39H49N5O6/c1-39(2,3)42-37(49)33-23-43(22-31-18-29-16-26(24-45)20-40-38(29)50-31)13-14-44(33)21-30(46)17-28(15-25-9-5-4-6-10-25)36(48)41-35-32-12-8-7-11-27(32)19-34(35)47/h4-12,16,18,20,28,30,33-35,45-47H,13-15,17,19,21-24H2,1-3H3,(H,41,48)(H,42,49)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Protease				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
					More data for this Ligand-Target Pair