BDBM50498321 CHEMBL3581672

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1cccc(c1)-c1ccc2OCOc2c1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=WTTJTWCVZLAQTG-URLMMPGGSA-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 = 50498321   

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))	BDBM50498321 (CHEMBL3581672) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1cccc(c1)-c1ccc2OCOc2c1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C33H42N2O8S/c1-22(2)19-35(44(38,39)27-13-11-26(40-6)12-14-27)20-29(36)28(34-32(37)43-33(3,4)5)17-23-8-7-9-24(16-23)25-10-15-30-31(18-25)42-21-41-30/h7-16,18,22,28-29,36H,17,19-21H2,1-6H3,(H,34,37)/t28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease				J Med Chem 58: 5334-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00676 BindingDB Entry DOI: 10.7270/Q2KK9FT9
					More data for this Ligand-Target Pair