BDBM50368423 CHEMBL1790881::CHEMBL3349492

SMILES: [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=JTGOXFUSCPOXKE-FNTFSWDQSA-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 = 50368423   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50368423 (CHEMBL1790881 | CHEMBL3349492) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C45H56N8O7/c1-4-28(2)40(45(60)51-35(41(56)47-3)25-30-16-9-6-10-17-30)52-44(59)37-20-13-23-53(37)27-38(54)34(24-29-14-7-5-8-15-29)49-43(58)36(26-39(46)55)50-42(57)33-22-21-31-18-11-12-19-32(31)48-33/h5-12,14-19,21-22,28,34-38,40,54H,4,13,20,23-27H2,1-3H3,(H2,46,55)(H,47,56)(H,49,58)(H,50,57)(H,51,60)(H,52,59)/t28-,34+,35+,36+,37?,38-,40+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair