BDBM50281650 (2S,4S,5S)-5-Amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid {(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide::CHEMBL355715

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(C)C)C(=O)NCc1ccccn1

InChI Key: InChIKey=RDJXAEYEVQHGII-WIGBTLJFSA-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 = 50281650   

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)	BDBM50281650 ((2S,4S,5S)-5-Amino-6-cyclohexyl-4-hydroxy-2-isopro...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C27H46N4O3/c1-5-19(4)25(27(34)30-17-21-13-9-10-14-29-21)31-26(33)22(18(2)3)16-24(32)23(28)15-20-11-7-6-8-12-20/h9-10,13-14,18-20,22-25,32H,5-8,11-12,15-17,28H2,1-4H3,(H,30,34)(H,31,33)/t19-,22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair