Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160' and Ligand = 'BDBM50333232'   

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...)	BDBM50333232 (CHEMBL1645266 | N1-(4-chloro-3-fluorophenyl)-N2-(2...) Show SMILES C[C@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C17H23ClFN3O2/c1-11-4-3-5-12(2)22(11)9-8-20-16(23)17(24)21-13-6-7-14(18)15(19)10-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,23)(H,21,24)/t11-,12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.55E+4	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...)	BDBM50333232 (CHEMBL1645266 | N1-(4-chloro-3-fluorophenyl)-N2-(2...) Show SMILES C[C@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C17H23ClFN3O2/c1-11-4-3-5-12(2)22(11)9-8-20-16(23)17(24)21-13-6-7-14(18)15(19)10-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,23)(H,21,24)/t11-,12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60E+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