BDBM50483069 CHEMBL1276098

SMILES: COC(=O)Nc1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=RXGXHZLEIRQJLM-DURBRWELSA-N

Data: 1 KI

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 = 50483069   

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))	BDBM50483069 (CHEMBL1276098) Show SMILES COC(=O)Nc1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H38N4O10S/c1-21(2)17-36(48(42,43)25-12-13-28-29(16-25)46-20-45-28)18-27(38)26(14-22-8-5-4-6-9-22)35-31(39)30-19-37(33(41)47-30)24-11-7-10-23(15-24)34-32(40)44-3/h4-13,15-16,21,26-27,30,38H,14,17-20H2,1-3H3,(H,34,40)(H,35,39)/t26-,27+,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease by FRET				J Med Chem 53: 7699-708 (2010) Article DOI: 10.1021/jm1008743 BindingDB Entry DOI: 10.7270/Q2BZ68WM
					More data for this Ligand-Target Pair