BDBM122988 US8742158, EX. 41

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=CSYIPXNMQBOKOI-LITSAYRRSA-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 = 122988   

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)	BDBM122988 (US8742158, EX. 41) Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H41BrN4O7S/c1-22(2)19-38(46(42,43)27-13-11-25(35)12-14-27)26(20-39)8-5-6-16-36-33(41)29(17-23-7-3-4-9-28(23)34)37-32(40)24-10-15-30-31(18-24)45-21-44-30/h3-4,7,9-15,18,22,26,29,39H,5-6,8,16-17,19-21,35H2,1-2H3,(H,36,41)(H,37,40)/t26-,29+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.336	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