BDBM50537575 CHEMBL4638877

SMILES: Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccc(OCc2cc(ccc2N2CCOCC2)N2CCCC2=O)cc1

InChI Key: InChIKey=QILZXINUWHTFRW-UHFFFAOYSA-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 = 50537575   

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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537575 (CHEMBL4638877) Show SMILES Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccc(OCc2cc(ccc2N2CCOCC2)N2CCCC2=O)cc1 Show InChI InChI=1S/C35H39N3O5S/c1-36-29-21-30(35(40)41)44-34(29)32(23-6-3-2-4-7-23)33(36)24-9-12-27(13-10-24)43-22-25-20-26(38-15-5-8-31(38)39)11-14-28(25)37-16-18-42-19-17-37/h9-14,20-21,23H,2-8,15-19,22H2,1H3,(H,40,41)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1007/s00044-005-0131-1 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair