BDBM122986 US8742158, EX. 45

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccccn1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=VUQFLLHKEHVXNH-ABYGYWHVSA-N

Data: 1 IC50

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 = 122986   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM122986 (US8742158, EX. 45) Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccccn1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C31H40BrN5O5S/c1-22(2)20-37(43(41,42)26-15-13-24(33)14-16-26)25(21-38)10-5-7-18-35-30(39)29(19-23-9-3-4-11-27(23)32)36-31(40)28-12-6-8-17-34-28/h3-4,6,8-9,11-17,22,25,29,38H,5,7,10,18-21,33H2,1-2H3,(H,35,39)(H,36,40)/t25-,29+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.615	n/a	n/a	n/a	n/a	n/a	n/a
TaiMed Biologies, Inc. US Patent					Assay Description This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...				US Patent US8742158 (2014) BindingDB Entry DOI: 10.7270/Q27H1H7P
					More data for this Ligand-Target Pair