BDBM50333233 CHEMBL1645265::N1-(4-chloro-3-fluorophenyl)-N2-(5-azaspiro[3.5]nonan-8-yl)oxalamide

SMILES: Fc1cc(NC(=O)C(=O)NC2CCNC3(CCC3)C2)ccc1Cl

InChI Key: InChIKey=JSEOESVFYKWYEF-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50333233   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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...)	BDBM50333233 (CHEMBL1645265 | N1-(4-chloro-3-fluorophenyl)-N2-(5...) Show SMILES Fc1cc(NC(=O)C(=O)NC2CCNC3(CCC3)C2)ccc1Cl Show InChI InChI=1S/C16H19ClFN3O2/c17-12-3-2-10(8-13(12)18)20-14(22)15(23)21-11-4-7-19-16(9-11)5-1-6-16/h2-3,8,11,19H,1,4-7,9H2,(H,20,22)(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	600	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
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333233 (CHEMBL1645265 | N1-(4-chloro-3-fluorophenyl)-N2-(5...) Show SMILES Fc1cc(NC(=O)C(=O)NC2CCNC3(CCC3)C2)ccc1Cl Show InChI InChI=1S/C16H19ClFN3O2/c17-12-3-2-10(8-13(12)18)20-14(22)15(23)21-11-4-7-19-16(9-11)5-1-6-16/h2-3,8,11,19H,1,4-7,9H2,(H,20,22)(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.85E+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