BDBM50050816 4-Chloro-9-methyl-7-(2-methyl-allyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL308222

SMILES: CC1CN(CC(C)=C)Cc2cc(Cl)cc3[nH]c(=S)n1c23

InChI Key: InChIKey=IHQQZXISEYPLLJ-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 = 50050816   

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)	BDBM50050816 (4-Chloro-9-methyl-7-(2-methyl-allyl)-6,7,8,9-tetra...) Show SMILES CC1CN(CC(C)=C)Cc2cc(Cl)cc3[nH]c(=S)n1c23 Show InChI InChI=1S/C15H18ClN3S/c1-9(2)6-18-7-10(3)19-14-11(8-18)4-12(16)5-13(14)17-15(19)20/h4-5,10H,1,6-8H2,2-3H3,(H,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
IBM Thomas J. Watson Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 replication by interfering with virus reverse transcriptase				J Med Chem 39: 2129-40 (1996) Article DOI: 10.1021/jm950589q BindingDB Entry DOI: 10.7270/Q2697471
					More data for this Ligand-Target Pair