BDBM50036543 4-Chloro-6-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::CHEMBL307994

SMILES: CC1N(CC=C(C)C)CCn2c3c1cc(Cl)cc3[nH]c2=O

InChI Key: InChIKey=VRXARPJNPFOGAW-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 = 50036543   

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)	BDBM50036543 (4-Chloro-6-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-...) Show SMILES CC1N(CC=C(C)C)CCn2c3c1cc(Cl)cc3[nH]c2=O |(12.09,-10.6,;12.42,-9.08,;13.91,-8.75,;14.73,-10.09,;13.97,-11.44,;14.77,-12.77,;14.01,-14.11,;16.31,-12.75,;14.64,-7.12,;13.89,-5.79,;12.37,-5.54,;11.23,-6.59,;11.23,-8.13,;9.9,-8.9,;8.56,-8.13,;7.22,-8.92,;8.56,-6.59,;9.9,-5.82,;10.23,-4.3,;11.76,-4.16,;12.55,-2.83,)| Show InChI InChI=1S/C16H20ClN3O/c1-10(2)4-5-19-6-7-20-15-13(11(19)3)8-12(17)9-14(15)18-16(20)21/h4,8-9,11H,5-7H2,1-3H3,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	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
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