Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]' and Ligand = 'BDBM2038'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L] (Human immunodeficiency virus type 1)	BDBM2038 (13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12 Show InChI InChI=1S/C21H20ClN5O2/c1-3-27-19-16(21(28)26(2)17-7-8-18(22)25-20(17)27)9-13(11-24-19)12-29-15-6-4-5-14(23)10-15/h4-11H,3,12,23H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	7.8	22
Pfizer Inc.					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 51: 3804-13 (2008) Article DOI: 10.1021/jm7015057 BindingDB Entry DOI: 10.7270/Q2DN437S
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