Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160' and Ligand = 'BDBM50333271'   

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
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333271 (CHEMBL1645121 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES CC(C)N1CCC(CC1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C16H21ClFN3O2/c1-10(2)21-7-5-11(6-8-21)19-15(22)16(23)20-12-3-4-13(17)14(18)9-12/h3-4,9-11H,5-8H2,1-2H3,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333271 (CHEMBL1645121 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES CC(C)N1CCC(CC1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C16H21ClFN3O2/c1-10(2)21-7-5-11(6-8-21)19-15(22)16(23)20-12-3-4-13(17)14(18)9-12/h3-4,9-11H,5-8H2,1-2H3,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Binding affinity to HIV1 YU2 gp120 by isothermal titration calorimetry assay				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair