BDBM50284921 1N-[4-(3-amino-2-methylphenylcarboxamido)-1-benzyl-2,3-dihydroxy-5-phenyl-(1S,2R,3S,4S)-pentyl]-3-amino-2-methylbenzamide::CHEMBL45914

SMILES: Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N)c1C

InChI Key: InChIKey=ZNUSDDUEKOZNNJ-RTNMLALUSA-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 = 50284921   

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)	BDBM50284921 (1N-[4-(3-amino-2-methylphenylcarboxamido)-1-benzyl...) Show SMILES Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N)c1C Show InChI InChI=1S/C34H38N4O4/c1-21-25(15-9-17-27(21)35)33(41)37-29(19-23-11-5-3-6-12-23)31(39)32(40)30(20-24-13-7-4-8-14-24)38-34(42)26-16-10-18-28(36)22(26)2/h3-18,29-32,39-40H,19-20,35-36H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31-,32+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV protease				Bioorg Med Chem Lett 5: 1707-1712 (1995) Article DOI: 10.1016/0960-894X(95)00289-6 BindingDB Entry DOI: 10.7270/Q2WD40H2
					More data for this Ligand-Target Pair