BDBM50036573 (S)-5-Ethynyl-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::5-Ethynyl-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::CHEMBL298626

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

InChI Key: InChIKey=GUMIEJSGYLCYET-ZDUSSCGKSA-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 = 50036573   

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)	BDBM50036573 ((S)-5-Ethynyl-8-methyl-7-(3-methyl-but-2-enyl)-6,7...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=O)C#C |wD:1.0,(12.86,-15.82,;12.86,-14.28,;14.23,-13.61,;14.56,-12.09,;13.59,-10.9,;12.05,-10.9,;11.09,-12.12,;11.46,-13.63,;10.27,-14.59,;8.83,-14.05,;7.63,-15.03,;7.87,-16.54,;6.19,-14.47,;11.28,-9.59,;12.05,-8.26,;13.59,-8.24,;14.36,-9.57,;15.85,-9.9,;16.01,-11.42,;17.34,-12.19,;9.74,-9.6,;8.2,-9.59,)| Show InChI InChI=1S/C18H21N3O/c1-5-14-6-7-16-17-15(14)11-20(9-8-12(2)3)13(4)10-21(17)18(22)19-16/h1,6-8,13H,9-11H2,2-4H3,(H,19,22)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.37E+5	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