BDBM50408880 CHEMBL58213

SMILES: CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)OC)c(=O)[nH]c1=O

InChI Key: InChIKey=IIQFZHAETGKTMI-UHFFFAOYSA-N

Data: 1 EC50

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 = 50408880   

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 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50408880 (CHEMBL58213) Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)OC)c(=O)[nH]c1=O Show InChI InChI=1S/C20H26N2O4S/c1-5-16-18(24)21-20(25)22(9-7-6-8-17(23)26-4)19(16)27-15-11-13(2)10-14(3)12-15/h10-12H,5-9H2,1-4H3,(H,21,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
UMR 176 CNRS/Institut Curie Curated by ChEMBL					Assay Description Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.				J Med Chem 43: 1927-39 (2000) BindingDB Entry DOI: 10.7270/Q2WS8VFT
					More data for this Ligand-Target Pair