BDBM50050817 (6S,8R)-6,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL303241::cis-6,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione

SMILES: C[C@@H]1Cn2c3c(cccc3[nH]c2=S)[C@H](C)N1CC=C(C)C

InChI Key: InChIKey=YTUOQDQWCBEQIZ-OLZOCXBDSA-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 = 50050817   

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)	BDBM50050817 ((6S,8R)-6,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8...) Show SMILES C[C@@H]1Cn2c3c(cccc3[nH]c2=S)[C@H](C)N1CC=C(C)C |wU:13.15,1.0,(15.42,-7.34,;13.88,-7.36,;13.22,-5.99,;11.72,-5.63,;10.51,-6.59,;10.51,-8.15,;9.18,-8.92,;7.85,-8.15,;7.85,-6.59,;9.18,-5.82,;9.51,-4.32,;11.17,-4.2,;12.08,-2.94,;11.72,-9.11,;11.38,-10.62,;13.22,-8.76,;14.17,-9.99,;13.6,-11.42,;14.55,-12.63,;13.97,-14.06,;16.09,-12.41,)| Show InChI InChI=1S/C17H23N3S/c1-11(2)8-9-19-12(3)10-20-16-14(13(19)4)6-5-7-15(16)18-17(20)21/h5-8,12-13H,9-10H2,1-4H3,(H,18,21)/t12-,13+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+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
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