BDBM50481583 CHEMBL601050

SMILES: [H][C@@]12C[C@@H](C[C@]1([H])OCO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C

InChI Key: InChIKey=BXWXFPHGZVJTQE-HNXVLALESA-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 = 50481583   

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))	BDBM50481583 (CHEMBL601050) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])OCO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C31H39N3O7S/c1-19-9-7-8-12-21(19)16-32-28(36)27-31(2,3)42-17-34(27)29(37)26(35)23(13-20-10-5-4-6-11-20)33-30(38)41-22-14-24-25(15-22)40-18-39-24/h4-12,22-27,35H,13-18H2,1-3H3,(H,32,36)(H,33,38)/t22-,23-,24+,25-,26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.650	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 HIV1 protease				Bioorg Med Chem Lett 20: 1241-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.123 BindingDB Entry DOI: 10.7270/Q2CJ8HB8
					More data for this Ligand-Target Pair