BDBM50286707 CHEMBL445642::Isoquinoline-5-carboxylic acid [(1R,2R)-3-(2-tert-butylcarbamoyl-phenyl)-2-hydroxy-1-(naphthalen-2-ylsulfanylmethyl)-propyl]-amide

SMILES: CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2cnccc12

InChI Key: InChIKey=YJDKTEZZVXPPBK-AJQTZOPKSA-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 = 50286707   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286707 (CHEMBL445642 | Isoquinoline-5-carboxylic acid [(1R...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2cnccc12 Show InChI InChI=1S/C35H35N3O3S/c1-35(2,3)38-34(41)29-13-7-6-11-25(29)20-32(39)31(22-42-27-16-15-23-9-4-5-10-24(23)19-27)37-33(40)30-14-8-12-26-21-36-18-17-28(26)30/h4-19,21,31-32,39H,20,22H2,1-3H3,(H,37,40)(H,38,41)/t31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity HIV-1 protease enzyme				Bioorg Med Chem Lett 5: 727-732 (1995) Article DOI: 10.1016/0960-894X(95)00103-Z BindingDB Entry DOI: 10.7270/Q29S1R0T
					More data for this Ligand-Target Pair