BDBM50091605 4-(6-Ethoxy-pyridin-3-ylmethyl)-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL325267

SMILES: CCOc1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)cn1

InChI Key: InChIKey=OMVIYEGFPJBUMA-CKTZBAQFSA-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 = 50091605   

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)	BDBM50091605 (4-(6-Ethoxy-pyridin-3-ylmethyl)-1-[2-hydroxy-4-(2-...) Show SMILES CCOc1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)cn1 Show InChI InChI=1S/C38H51N5O5/c1-5-48-34-16-15-27(22-39-34)23-42-17-18-43(32(25-42)37(47)41-38(2,3)4)24-30(44)20-29(19-26-11-7-6-8-12-26)36(46)40-35-31-14-10-9-13-28(31)21-33(35)45/h6-16,22,29-30,32-33,35,44-45H,5,17-21,23-25H2,1-4H3,(H,40,46)(H,41,47)/t29-,30+,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	3.40	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
					More data for this Ligand-Target Pair