BDBM50282665 (S)-N*1*-[(1S,2R)-1-Benzyl-3-(1-tert-butylcarbamoyl-naphthalen-2-yl)-2-hydroxy-propyl]-2-[(quinoline-2-carbonyl)-amino]-succinamide::CHEMBL29312::LY-289606

SMILES: CC(C)(C)NC(=O)c1c(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)ccc2ccccc12

InChI Key: InChIKey=JIOGFGHGVPFHGE-XFCANUNOSA-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 = 50282665   

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)	BDBM50282665 ((S)-N*1*-[(1S,2R)-1-Benzyl-3-(1-tert-butylcarbamoy...) Show SMILES CC(C)(C)NC(=O)c1c(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)ccc2ccccc12 Show InChI InChI=1S/C39H41N5O5/c1-39(2,3)44-38(49)35-27(18-17-25-13-7-9-15-28(25)35)22-33(45)31(21-24-11-5-4-6-12-24)42-37(48)32(23-34(40)46)43-36(47)30-20-19-26-14-8-10-16-29(26)41-30/h4-20,31-33,45H,21-23H2,1-3H3,(H2,40,46)(H,42,48)(H,43,47)(H,44,49)/t31-,32-,33+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.5	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