BDBM50036595 (S)-8-Methyl-7-(3-methyl-but-2-enyl)-1-thioxo-1,2,6,7,8,9-hexahydro-2,7,9a-triaza-benzo[cd]azulene-5-carbonitrile::8-Methyl-7-(3-methyl-but-2-enyl)-1-thioxo-1,2,6,7,8,9-hexahydro-2,7,9a-triaza-benzo[cd]azulene-5-carbonitrile::CHEMBL58506

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

InChI Key: InChIKey=MMACPMQCCGUQQX-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 = 50036595   

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)	BDBM50036595 ((S)-8-Methyl-7-(3-methyl-but-2-enyl)-1-thioxo-1,2,...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=S)C#N |wD:1.0,(12.67,-15.73,;12.67,-14.19,;14.05,-13.51,;14.37,-12.01,;13.39,-10.8,;11.87,-10.81,;10.91,-12.03,;11.26,-13.53,;10.07,-14.5,;8.63,-13.95,;7.43,-14.93,;7.67,-16.45,;5.99,-14.37,;11.09,-9.49,;11.85,-8.16,;13.39,-8.15,;14.16,-9.48,;15.66,-9.81,;15.82,-11.33,;17.15,-12.08,;9.55,-9.49,;8.01,-9.49,)| Show InChI InChI=1S/C17H20N4S/c1-11(2)6-7-20-10-14-13(8-18)4-5-15-16(14)21(9-12(20)3)17(22)19-15/h4-6,12H,7,9-10H2,1-3H3,(H,19,22)/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	5.63E+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