BDBM2750 3,3-Dichloro-4-methanesulfonyloxy-4,4-dimethoxy-5,5-bis(methoxycarbonyl)-1,1-diphenyl-1-butene::Alkenyldiarylmethane (ADAM) 19::Alkenyldiarylmethanes (ADAM) 19::methyl 3-chloro-5-{1-[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]-4-(methanesulfonyloxy)but-1-en-1-yl}-2-methoxybenzoate

SMILES: [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#8]S([#6])(=O)=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

InChI Key: InChIKey=UJPRYSXXSSXRMW-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 = 2750   

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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2750 (3,3-Dichloro-4-methanesulfonyloxy-4,4-dimethoxy-5,...) Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#8]S([#6])(=O)=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6] Show InChI InChI=1S/C23H24Cl2O9S/c1-30-20-16(22(26)32-3)9-13(11-18(20)24)15(7-6-8-34-35(5,28)29)14-10-17(23(27)33-4)21(31-2)19(25)12-14/h7,9-12H,6,8H2,1-5H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	7.9	n/a
Purdue University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2076-89 (1998) Article DOI: 10.1021/jm9800595 BindingDB Entry DOI: 10.7270/Q2251GC2
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