BDBM50483088 CHEMBL1276081

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc2ncsc2c1

InChI Key: InChIKey=SDEUBCIDKLDRAJ-IARZGTGTSA-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 = 50483088   

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))	BDBM50483088 (CHEMBL1276081) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C32H33F3N4O7S2/c1-20(2)16-38(48(43,44)24-11-12-25-29(15-24)47-19-36-25)17-27(40)26(13-21-7-4-3-5-8-21)37-30(41)28-18-39(31(42)45-28)22-9-6-10-23(14-22)46-32(33,34)35/h3-12,14-15,19-20,26-28,40H,13,16-18H2,1-2H3,(H,37,41)/t26-,27+,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0260	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
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