BDBM50036605 (S)-5-Methoxy-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL433931

SMILES: COc1ccc2[nH]c(=S)n3C[C@H](C)N(CC=C(C)C)Cc1c23

InChI Key: InChIKey=KVRRUCHBZVUKKH-LBPRGKRZSA-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 = 50036605   

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)	BDBM50036605 ((S)-5-Methoxy-8-methyl-7-(3-methyl-but-2-enyl)-6,7...) Show SMILES COc1ccc2[nH]c(=S)n3C[C@H](C)N(CC=C(C)C)Cc1c23 |wU:11.11,(6.69,-4.68,;6.69,-6.22,;8.02,-6.99,;8.02,-8.54,;9.35,-9.31,;10.68,-8.54,;12.14,-9.03,;13.05,-7.78,;14.59,-7.79,;12.15,-6.53,;12.7,-4.99,;11.76,-3.35,;12.7,-1.71,;9.95,-3.41,;9.24,-2.04,;10.07,-.73,;9.35,.63,;10.17,1.93,;7.81,.69,;8.96,-4.75,;9.35,-6.24,;10.69,-7.01,)| Show InChI InChI=1S/C17H23N3OS/c1-11(2)7-8-19-10-13-15(21-4)6-5-14-16(13)20(9-12(19)3)17(22)18-14/h5-7,12H,8-10H2,1-4H3,(H,18,22)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+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