BDBM50046414 (1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)-butyrylamino]-4-phenyl-butylcarbamoyl}-2-methyl-propyl)-carbamic acid pyridin-2-ylmethyl ester::CHEMBL106486

SMILES: CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccn1)C(C)C

InChI Key: InChIKey=OAMAKWIPEXPXAE-FTMHBDIKSA-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 = 50046414   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50046414 ((1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(pyridin-2-yl...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccn1)C(C)C Show InChI InChI=1S/C41H50N6O7/c1-27(2)35(46-40(51)53-25-31-19-11-13-21-42-31)38(49)44-33(23-29-15-7-5-8-16-29)37(48)34(24-30-17-9-6-10-18-30)45-39(50)36(28(3)4)47-41(52)54-26-32-20-12-14-22-43-32/h5-22,27-28,33-37,48H,23-26H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t33-,34-,35-,36+,37?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay				J Med Chem 36: 320-30 (1993) BindingDB Entry DOI: 10.7270/Q25B01J6
					More data for this Ligand-Target Pair