BDBM50050639 6-(3,6-Dihydro-2H-pyridin-1-yl)-8-ethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene::CHEMBL431931

SMILES: CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N1CCC=CC1

InChI Key: InChIKey=XZVNBEFGLVMOLD-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 = 50050639   

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)	BDBM50050639 (6-(3,6-Dihydro-2H-pyridin-1-yl)-8-ethyl-8H-1,3a,7,...) Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N1CCC=CC1 |c:27| Show InChI InChI=1S/C20H20N6/c1-2-25-18-15(7-6-10-21-18)19-22-11-14-26(19)16-8-9-17(23-20(16)25)24-12-4-3-5-13-24/h3-4,6-11,14H,2,5,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+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