Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV WT-A pol protein (wild-type clade A)' and Ligand = 'BDBM104107'   

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
HIV WT-A pol protein (wild-type clade A) (Human immunodeficiency virus)	BDBM104107 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H43N3O6S/c1-7-21(4)28(30-22(5)33)29(35)31-26(17-23-11-9-8-10-12-23)27(34)19-32(18-20(2)3)39(36,37)25-15-13-24(38-6)14-16-25/h8-16,20-21,26-28,34H,7,17-19H2,1-6H3,(H,30,33)(H,31,35)/t21-,26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
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