BDBM50091606 1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(3-methyl-benzofuran-2-ylmethyl)-piperazine-2-carboxylic acid tert-butylamide::CHEMBL331155

SMILES: Cc1c(CN2CCN(CC(O)CC(Cc3ccccc3)C(=O)NC3C(O)Cc4ccccc34)C(C2)C(=O)NC(C)(C)C)oc2ccccc12

InChI Key: InChIKey=WHERZNBVXWXRIV-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 = 50091606   

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)	BDBM50091606 (1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...) Show SMILES Cc1c(CN2CCN(CC(O)CC(Cc3ccccc3)C(=O)NC3C(O)Cc4ccccc34)C(C2)C(=O)NC(C)(C)C)oc2ccccc12 Show InChI InChI=1S/C40H50N4O5/c1-26-31-15-10-11-17-35(31)49-36(26)25-43-18-19-44(33(24-43)39(48)42-40(2,3)4)23-30(45)21-29(20-27-12-6-5-7-13-27)38(47)41-37-32-16-9-8-14-28(32)22-34(37)46/h5-17,29-30,33-34,37,45-46H,18-25H2,1-4H3,(H,41,47)(H,42,48)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	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