BDBM50091871 CHEMBL302877::Quinoline-2-carboxylic acid [(S)-1-benzyl-2-oxo-2-(3-oxo-2-phenylsulfanyl-pyrrolidin-1-yl)-ethyl]-amide

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)C1Sc1ccccc1)c1ccc2ccccc2n1

InChI Key: InChIKey=QAXMGKRIAPSLNZ-GMMLNUAGSA-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 = 50091871   

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)	BDBM50091871 (CHEMBL302877 | Quinoline-2-carboxylic acid [(S)-1-...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)C1Sc1ccccc1)c1ccc2ccccc2n1 Show InChI InChI=1S/C29H25N3O3S/c33-26-17-18-32(29(26)36-22-12-5-2-6-13-22)28(35)25(19-20-9-3-1-4-10-20)31-27(34)24-16-15-21-11-7-8-14-23(21)30-24/h1-16,25,29H,17-19H2,(H,31,34)/t25-,29?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de la Méditerranée Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV-1 protease				Bioorg Med Chem Lett 10: 2023-6 (2001) BindingDB Entry DOI: 10.7270/Q2PR7V7J
					More data for this Ligand-Target Pair