BDBM50036546 6-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL65800

SMILES: CCCN1CCn2c3c(cccc3[nH]c2=S)C1C

InChI Key: InChIKey=IDSUVRQZWRBRDN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50036546   

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)	BDBM50036546 (6-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...) Show SMILES CCCN1CCn2c3c(cccc3[nH]c2=S)C1C Show InChI InChI=1S/C14H19N3S/c1-3-7-16-8-9-17-13-11(10(16)2)5-4-6-12(13)15-14(17)18/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Eur J Med Chem 44: 1509-24 (2009) Article DOI: 10.1016/j.ejmech.2008.07.020 BindingDB Entry DOI: 10.7270/Q29889TP
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036546 (6-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...) Show SMILES CCCN1CCn2c3c(cccc3[nH]c2=S)C1C Show InChI InChI=1S/C14H19N3S/c1-3-7-16-8-9-17-13-11(10(16)2)5-4-6-12(13)15-14(17)18/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.43E+3	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