Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM50479707'   

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-1 protease (Human immunodeficiency virus)	BDBM50479707 (CHEMBL515772) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(C)=O)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H39N3O6S/c1-6-19(2)17-30(37(34,35)24-14-12-23(36-5)13-15-24)18-26(32)25(16-22-10-8-7-9-11-22)29-27(33)20(3)28-21(4)31/h7-15,19-20,25-26,32H,6,16-18H2,1-5H3,(H,28,31)(H,29,33)/t19-,20-,25-,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMBI Curated by ChEMBL					Assay Description Inhibition of HIV1 protease Q7K mutant by FRET method				J Med Chem 52: 737-54 (2009) Article DOI: 10.1021/jm8009525 BindingDB Entry DOI: 10.7270/Q2PN98FX
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50479707 (CHEMBL515772) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(C)=O)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H39N3O6S/c1-6-19(2)17-30(37(34,35)24-14-12-23(36-5)13-15-24)18-26(32)25(16-22-10-8-7-9-11-22)29-27(33)20(3)28-21(4)31/h7-15,19-20,25-26,32H,6,16-18H2,1-5H3,(H,28,31)(H,29,33)/t19-,20-,25-,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMBI Curated by ChEMBL					Assay Description Inhibition of HIV1 protease Q7K mutant by FRET method				J Med Chem 52: 737-54 (2009) Article DOI: 10.1021/jm8009525 BindingDB Entry DOI: 10.7270/Q2PN98FX
					More data for this Ligand-Target Pair