BDBM50050811 (6S,8R)-4-Chloro-6,8-dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL308644

SMILES: C[C@@H]1Cn2c3c(cc(Cl)cc3[nH]c2=S)[C@H](C)N1CC=C(C)C

InChI Key: InChIKey=SIUWCFHEUWWLTD-NEPJUHHUSA-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 = 50050811   

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)	BDBM50050811 ((6S,8R)-4-Chloro-6,8-dimethyl-7-(3-methyl-but-2-en...) Show SMILES C[C@@H]1Cn2c3c(cc(Cl)cc3[nH]c2=S)[C@H](C)N1CC=C(C)C |wU:14.16,1.0,(18.15,-5.16,;16.61,-5.18,;15.94,-3.8,;14.45,-3.46,;13.25,-4.42,;13.25,-5.96,;11.92,-6.73,;10.58,-5.96,;9.24,-6.75,;10.58,-4.42,;11.92,-3.65,;12.25,-2.13,;13.91,-2.01,;14.8,-.75,;14.45,-6.91,;14.1,-8.43,;15.94,-6.58,;16.9,-7.8,;16.32,-9.22,;17.27,-10.44,;18.81,-10.23,;16.71,-11.88,)| Show InChI InChI=1S/C17H22ClN3S/c1-10(2)5-6-20-11(3)9-21-16-14(12(20)4)7-13(18)8-15(16)19-17(21)22/h5,7-8,11-12H,6,9H2,1-4H3,(H,19,22)/t11-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	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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