BDBM50010248 8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::CHEMBL66404::[R-(-)]-8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::[S-(+)]-8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one

SMILES: CC1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=O

InChI Key: InChIKey=LOFKLFWOTPCHJG-UHFFFAOYSA-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 = 50010248   

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)	BDBM50010248 (8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydr...) Show SMILES CC1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=O |(13.34,-5.16,;11.81,-5.18,;11.13,-3.81,;9.64,-3.46,;8.45,-4.41,;8.45,-5.97,;9.64,-6.93,;11.13,-6.58,;12.09,-7.81,;11.52,-9.23,;12.47,-10.45,;11.9,-11.88,;14,-10.22,;7.12,-6.74,;5.78,-5.97,;5.78,-4.41,;7.12,-3.65,;7.45,-2.15,;9.1,-2.03,;10,-.77,)| 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)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	5.40	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)	BDBM50010248 (8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydr...) Show SMILES CC1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=O |(13.34,-5.16,;11.81,-5.18,;11.13,-3.81,;9.64,-3.46,;8.45,-4.41,;8.45,-5.97,;9.64,-6.93,;11.13,-6.58,;12.09,-7.81,;11.52,-9.23,;12.47,-10.45,;11.9,-11.88,;14,-10.22,;7.12,-6.74,;5.78,-5.97,;5.78,-4.41,;7.12,-3.65,;7.45,-2.15,;9.1,-2.03,;10,-.77,)| 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)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
IBM Thomas J. Watson Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 replication by interfering with virus reverse transcriptase				J Med Chem 39: 2129-40 (1996) Article DOI: 10.1021/jm950589q BindingDB Entry DOI: 10.7270/Q2697471
					More data for this Ligand-Target Pair