BDBM2748 Alkenyldiarylmethane (ADAM) 16::Alkenyldiarylmethanes (ADAM) 16::methyl 5-[3-(tert-butoxy)-1-[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]-3-oxoprop-1-en-1-yl]-3-chloro-2-methoxybenzoate::tert-Butyl 3,3-Dichloro-4,4-dimethoxy-5,5-bis-(methoxycarbonyl)-3,3-diphenylpropenoate

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

InChI Key: InChIKey=QKFJMJDWATTXSX-UHFFFAOYSA-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 = 2748   

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)	BDBM2748 (Alkenyldiarylmethane (ADAM) 16 | Alkenyldiarylmeth...) Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6](=O)-[#8]C([#6])([#6])[#6])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6] Show InChI InChI=1S/C25H26Cl2O8/c1-25(2,3)35-20(28)12-15(13-8-16(23(29)33-6)21(31-4)18(26)10-13)14-9-17(24(30)34-7)22(32-5)19(27)11-14/h8-12H,1-7H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
					More data for this Ligand-Target Pair