BDBM50482993 CHEMBL1270346

SMILES: COc1nc(NCc2ccc3occc3c2)nc(Nc2c(C)cccc2-c2ccccc2)n1

InChI Key: InChIKey=TXZHTOSHPCFTKR-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 = 50482993   

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)	BDBM50482993 (CHEMBL1270346) Show SMILES COc1nc(NCc2ccc3occc3c2)nc(Nc2c(C)cccc2-c2ccccc2)n1 Show InChI InChI=1S/C26H23N5O2/c1-17-7-6-10-21(19-8-4-3-5-9-19)23(17)28-25-29-24(30-26(31-25)32-2)27-16-18-11-12-22-20(15-18)13-14-33-22/h3-15H,16H2,1-2H3,(H2,27,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ansaris Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase				Bioorg Med Chem Lett 20: 6592-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.034 BindingDB Entry DOI: 10.7270/Q2NG4TG2
					More data for this Ligand-Target Pair