Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50091595'   

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 [489-587] (Human immunodeficiency virus type 1)	BDBM50091595 (1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...) Show SMILES CC(C)(C)NC(=O)C1CN(Cc2cc3cccnc3s2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O4S/c1-38(2,3)41-36(47)32-24-42(23-30-20-27-13-9-15-39-37(27)48-30)16-17-43(32)22-29(44)19-28(18-25-10-5-4-6-11-25)35(46)40-34-31-14-8-7-12-26(31)21-33(34)45/h4-15,20,28-29,32-34,44-45H,16-19,21-24H2,1-3H3,(H,40,46)(H,41,47)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in vitro.				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
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