BDBM50052806 CHEMBL600779

SMILES: [H][C@@]12O[C@@H](C(=O)NC3CCCCC3)[C@@]([H])(O1)C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1

InChI Key: InChIKey=HZPVKADHUDRRLO-NZCWTCFWSA-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 = 50052806   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50052806 (CHEMBL600779) Show SMILES [H][C@@]12O[C@@H](C(=O)NC3CCCCC3)[C@@]([H])(O1)C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 |r| Show InChI InChI=1S/C26H30N2O4/c29-24(27-20-14-8-3-9-15-20)22-23-25(30)28(17-19-12-6-2-7-13-19)21(26(31-22)32-23)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20-23,26H,3,8-9,14-17H2,(H,27,29)/t21-,22+,23+,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 15 mins before substrate addition m...				Eur J Med Chem 84: 444-53 (2014) Article DOI: 10.1016/j.ejmech.2014.07.049 BindingDB Entry DOI: 10.7270/Q2GB25P6
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