BDBM50036550 9-Isopropyl-7-(2-methyl-allyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::CHEMBL69775

SMILES: CC(C)C1CN(CC(C)=C)Cc2cccc3[nH]c(=O)n1c23

InChI Key: InChIKey=SMWYMIBTHHZDNI-UHFFFAOYSA-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 = 50036550   

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)	BDBM50036550 (9-Isopropyl-7-(2-methyl-allyl)-6,7,8,9-tetrahydro-...) Show SMILES CC(C)C1CN(CC(C)=C)Cc2cccc3[nH]c(=O)n1c23 Show InChI InChI=1S/C17H23N3O/c1-11(2)8-19-9-13-6-5-7-14-16(13)20(17(21)18-14)15(10-19)12(3)4/h5-7,12,15H,1,8-10H2,2-4H3,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	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