BDBM50036599 (S)-5,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::5,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL59279

SMILES: C[C@H]1Cn2c3c(CN1CC=C(C)C)c(C)ccc3[nH]c2=S

InChI Key: InChIKey=RZFLHYQFGJSNNI-ZDUSSCGKSA-N

Data: 1 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 2 hits for monomerid = 50036599   

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)	BDBM50036599 ((S)-5,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-t...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(C)ccc3[nH]c2=S |wD:1.0,(11.98,-15.32,;11.98,-13.78,;13.36,-13.12,;13.69,-11.61,;12.7,-10.4,;11.18,-10.41,;10.22,-11.63,;10.58,-13.12,;9.38,-14.11,;7.93,-13.56,;6.74,-14.53,;5.29,-13.98,;6.98,-16.05,;10.4,-9.08,;8.86,-9.1,;11.16,-7.75,;12.7,-7.75,;13.48,-9.08,;14.97,-9.41,;15.14,-10.93,;16.47,-11.69,)| Show InChI InChI=1S/C17H23N3S/c1-11(2)7-8-19-10-14-12(3)5-6-15-16(14)20(9-13(19)4)17(21)18-15/h5-7,13H,8-10H2,1-4H3,(H,18,21)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	7.90	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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036599 ((S)-5,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-t...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(C)ccc3[nH]c2=S |wD:1.0,(11.98,-15.32,;11.98,-13.78,;13.36,-13.12,;13.69,-11.61,;12.7,-10.4,;11.18,-10.41,;10.22,-11.63,;10.58,-13.12,;9.38,-14.11,;7.93,-13.56,;6.74,-14.53,;5.29,-13.98,;6.98,-16.05,;10.4,-9.08,;8.86,-9.1,;11.16,-7.75,;12.7,-7.75,;13.48,-9.08,;14.97,-9.41,;15.14,-10.93,;16.47,-11.69,)| Show InChI InChI=1S/C17H23N3S/c1-11(2)7-8-19-10-14-12(3)5-6-15-16(14)20(9-13(19)4)17(21)18-15/h5-7,13H,8-10H2,1-4H3,(H,18,21)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair