BDBM50282101 (3S,4aS,8aS)-2-((R)-2-Hydroxy-4-{(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-5-phenyl-pentyl)-decahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL43739

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccn1

InChI Key: InChIKey=KKYBAUMVFSBYOJ-JQMIBDAMSA-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 = 50282101   

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)	BDBM50282101 ((3S,4aS,8aS)-2-((R)-2-Hydroxy-4-{(1S,2S)-2-methyl-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C38H57N5O4/c1-6-26(2)34(37(47)40-23-31-18-12-13-19-39-31)41-35(45)30(20-27-14-8-7-9-15-27)21-32(44)25-43-24-29-17-11-10-16-28(29)22-33(43)36(46)42-38(3,4)5/h7-9,12-15,18-19,26,28-30,32-34,44H,6,10-11,16-17,20-25H2,1-5H3,(H,40,47)(H,41,45)(H,42,46)/t26-,28-,29+,30+,32?,33-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair