BDBM50282663 (S)-N*1*-[(1S,2R)-1-Benzyl-3-(2-tert-butylcarbamoyl-4-methyl-phenyl)-2-hydroxy-propyl]-2-[(quinoline-2-carbonyl)-amino]-succinamide::CHEMBL27120::LY-289598

SMILES: Cc1ccc(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c(c1)C(=O)NC(C)(C)C

InChI Key: InChIKey=FKBIHVRNEQVVTP-RWSKJCERSA-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 = 50282663   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282663 ((S)-N*1*-[(1S,2R)-1-Benzyl-3-(2-tert-butylcarbamoy...) Show SMILES Cc1ccc(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c(c1)C(=O)NC(C)(C)C Show InChI InChI=1S/C36H41N5O5/c1-22-14-15-25(26(18-22)33(44)41-36(2,3)4)20-31(42)29(19-23-10-6-5-7-11-23)39-35(46)30(21-32(37)43)40-34(45)28-17-16-24-12-8-9-13-27(24)38-28/h5-18,29-31,42H,19-21H2,1-4H3,(H2,37,43)(H,39,46)(H,40,45)(H,41,44)/t29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
					More data for this Ligand-Target Pair