Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]' and Ligand = 'BDBM1554'   

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,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM1554 (2-cyclopropyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15...) Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cc[nH]c1 Show InChI InChI=1S/C19H17N5O/c1-23-16-7-6-15(12-8-10-20-11-12)22-18(16)24(13-4-5-13)17-14(19(23)25)3-2-9-21-17/h2-3,6-11,13,20H,4-5H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals 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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
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