BDBM50481585 CHEMBL603666

SMILES: Cc1ccccc1CNC(=O)[C@H]1N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)CSC1(C)C

InChI Key: InChIKey=MYOYYYLRVOMBEC-QEGGNFSNSA-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 = 50481585   

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))	BDBM50481585 (CHEMBL603666) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)CSC1(C)C |r| Show InChI InChI=1S/C29H39N3O5S/c1-20-9-7-8-12-22(20)16-30-27(34)26-29(2,3)38-19-32(26)17-25(33)24(15-21-10-5-4-6-11-21)31-28(35)37-23-13-14-36-18-23/h4-12,23-26,33H,13-19H2,1-3H3,(H,30,34)(H,31,35)/t23-,24-,25+,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	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