BDBM93248 HIV-1 Protease Inhibitor, 7e

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key: InChIKey=CNUDWLHTOHVCKM-OYEZVYLDSA-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 = 93248   

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)	BDBM93248 (HIV-1 Protease Inhibitor, 7e) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(c1)C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(c1)C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-15-13-17-31(23-29)41(55)49-33-19-9-7-10-20-33)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-16-14-18-32(24-30)42(56)50-34-21-11-8-12-22-34/h13-18,23-24,27-28,33-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Fluorometric assay using HIV-1 protease.				J Comb Chem 7: 611-7 (2005) Article DOI: 10.1021/cc050016r BindingDB Entry DOI: 10.7270/Q2GQ6WC5
					More data for this Ligand-Target Pair