BDBM122975 US8742158, EX 56

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1ccccn1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=XCANMBXWBTYOBG-TWJUONSBSA-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 = 122975   

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)	BDBM122975 (US8742158, EX 56) Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1ccccn1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C35H45N5O4S/c1-26(2)24-40(45(43,44)33-17-15-30(36)16-18-33)32(25-41)12-6-8-20-38-35(42)34(39-23-31-11-5-7-19-37-31)22-27-13-14-28-9-3-4-10-29(28)21-27/h3-5,7,9-11,13-19,21,26,32,34,39,41H,6,8,12,20,22-25,36H2,1-2H3,(H,38,42)/t32-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.90	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
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