BDBM50281651 (2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid {(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide::CHEMBL170551

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

InChI Key: InChIKey=KXAMGWBBXZAXQR-KKASSDGMSA-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 = 50281651   

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)	BDBM50281651 ((2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C29H48N4O4/c1-6-20(4)27(29(37)31-18-23-14-10-11-15-30-23)33-28(36)24(19(2)3)17-26(35)25(32-21(5)34)16-22-12-8-7-9-13-22/h10-11,14-15,19-20,22,24-27,35H,6-9,12-13,16-18H2,1-5H3,(H,31,37)(H,32,34)(H,33,36)/t20-,24-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8	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