BDBM50116915 (S)-4-Furo[3,2-c]pyridin-2-ylmethyl-1-[(2S,4R)-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL81840

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=NIQZVJVTQIZVKW-RAHFVTAASA-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 = 50116915   

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)	BDBM50116915 ((S)-4-Furo[3,2-c]pyridin-2-ylmethyl-1-[(2S,4R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)32-24-42(23-30-19-28-21-39-14-13-34(28)48-30)15-16-43(32)22-29(44)18-27(17-25-9-5-4-6-10-25)36(46)40-35-31-12-8-7-11-26(31)20-33(35)45/h4-14,19,21,27,29,32-33,35,44-45H,15-18,20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t27-,29+,32+,33-,35+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit cleavage of a substrate by the wild-type HIV-1 Protease				Bioorg Med Chem Lett 12: 2419-22 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JQR
					More data for this Ligand-Target Pair