BDBM50050631 2,8-Diethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene::CHEMBL44392

SMILES: CCN1c2ncccc2-c2nc(CC)c(C)n2-c2cccnc12

InChI Key: InChIKey=GTKMCWPAPCRGND-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 = 50050631   

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)	BDBM50050631 (2,8-Diethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenz...) Show SMILES CCN1c2ncccc2-c2nc(CC)c(C)n2-c2cccnc12 Show InChI InChI=1S/C18H19N5/c1-4-14-12(3)23-15-9-7-11-20-18(15)22(5-2)16-13(17(23)21-14)8-6-10-19-16/h6-11H,4-5H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair