BDBM50091601 1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(1H-indol-3-ylmethyl)-piperazine-2-carboxylic acid tert-butylamide::CHEMBL325395

SMILES: CC(C)(C)NC(=O)C1CN(Cc2c[nH]c3ccccc23)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12

InChI Key: InChIKey=ZAFZTRIEIZFEAR-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 = 50091601   

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)	BDBM50091601 (1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...) Show SMILES CC(C)(C)NC(=O)C1CN(Cc2c[nH]c3ccccc23)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C39H49N5O4/c1-39(2,3)42-38(48)34-25-43(23-29-22-40-33-16-10-9-14-31(29)33)17-18-44(34)24-30(45)20-28(19-26-11-5-4-6-12-26)37(47)41-36-32-15-8-7-13-27(32)21-35(36)46/h4-16,22,28,30,34-36,40,45-46H,17-21,23-25H2,1-3H3,(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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in vitro.				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
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