BDBM50091610 4-(Furo[2,3-b]pyridine-5-carbonyl)-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL116845

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)C(=O)c1cnc2occc2c1

InChI Key: InChIKey=QVJNQJNEJNILTO-ZWPFVVFSSA-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 = 50091610   

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)	BDBM50091610 (4-(Furo[2,3-b]pyridine-5-carbonyl)-1-[2-hydroxy-4-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)C(=O)c1cnc2occc2c1 Show InChI InChI=1S/C38H45N5O6/c1-38(2,3)41-35(47)31-23-43(37(48)28-18-26-13-16-49-36(26)39-21-28)15-14-42(31)22-29(44)19-27(17-24-9-5-4-6-10-24)34(46)40-33-30-12-8-7-11-25(30)20-32(33)45/h4-13,16,18,21,27,29,31-33,44-45H,14-15,17,19-20,22-23H2,1-3H3,(H,40,46)(H,41,47)/t27-,29+,31+,32-,33?/m1/s1	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 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