BDBM50010216 7-propyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::8-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL67451

SMILES: CCCN1Cc2cccc3[nH]c(=S)n(CC1C)c23

InChI Key: InChIKey=MCPJZHMZVKLMDI-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50010216   

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)	BDBM50010216 (7-propyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...) Show SMILES CCCN1Cc2cccc3[nH]c(=S)n(CC1C)c23 Show InChI InChI=1S/C14H19N3S/c1-3-7-16-9-11-5-4-6-12-13(11)17(8-10(16)2)14(18)15-12/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 Similars	Article PubMed	n/a	n/a	1.67E+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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50010216 (7-propyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...) Show SMILES CCCN1Cc2cccc3[nH]c(=S)n(CC1C)c23 Show InChI InChI=1S/C14H19N3S/c1-3-7-16-9-11-5-4-6-12-13(11)17(8-10(16)2)14(18)15-12/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 Similars	Article	n/a	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Human immunodeficiency virus 1 reverse transcriptase				Citation and Details Article DOI: 10.1007/s00044-011-9742-x BindingDB Entry DOI: 10.7270/Q2CV4MN4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50010216 (7-propyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...) Show SMILES CCCN1Cc2cccc3[nH]c(=S)n(CC1C)c23 Show InChI InChI=1S/C14H19N3S/c1-3-7-16-9-11-5-4-6-12-13(11)17(8-10(16)2)14(18)15-12/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 Similars	Article PubMed	n/a	n/a	1.66E+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