BDBM50068796 (S)-8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::CHEMBL292197

SMILES: C[C@H]1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=O

InChI Key: InChIKey=LOFKLFWOTPCHJG-LBPRGKRZSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068796   

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)	BDBM50068796 ((S)-8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetra...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=O |wD:1.0,(4.45,-10.02,;4.45,-8.47,;5.83,-7.79,;6.16,-6.29,;5.18,-5.08,;3.65,-5.1,;2.69,-6.31,;3.05,-7.82,;1.86,-8.79,;.41,-8.24,;-.79,-9.22,;-2.24,-8.66,;-.55,-10.74,;2.88,-3.77,;3.63,-2.44,;5.18,-2.43,;5.95,-3.76,;7.44,-4.09,;7.61,-5.61,;8.94,-6.37,)| Show InChI InChI=1S/C16H21N3O/c1-11(2)7-8-18-10-13-5-4-6-14-15(13)19(9-12(18)3)16(20)17-14/h4-7,12H,8-10H2,1-3H3,(H,17,20)/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	3.16E+6	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
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