BDBM50161819 CHEMBL3785957

SMILES: COc1ccc(Nc2nc(NC3CCCC3)nc(Nc3ccc(OC)cc3)n2)cc1

InChI Key: InChIKey=DGSDCVCRJYVUPN-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 = 50161819   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50161819 (CHEMBL3785957) Show SMILES COc1ccc(Nc2nc(NC3CCCC3)nc(Nc3ccc(OC)cc3)n2)cc1 Show InChI InChI=1S/C22H26N6O2/c1-29-18-11-7-16(8-12-18)24-21-26-20(23-15-5-3-4-6-15)27-22(28-21)25-17-9-13-19(30-2)14-10-17/h7-15H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...				Bioorg Med Chem 24: 2519-29 (2016) BindingDB Entry DOI: 10.7270/Q2NC632Q
					More data for this Ligand-Target Pair