BDBM50333259 CHEMBL1645132::N1-(4-chloro-3-fluorophenyl)-N2-((1-methylpiperidin-3-yl)methyl)oxalamide

SMILES: CN1CCCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1

InChI Key: InChIKey=HBSBGNKQMHHJOE-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 = 50333259   

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...)	BDBM50333259 (CHEMBL1645132 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES CN1CCCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 Show InChI InChI=1S/C15H19ClFN3O2/c1-20-6-2-3-10(9-20)8-18-14(21)15(22)19-11-4-5-12(16)13(17)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)	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	2.50E+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
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333259 (CHEMBL1645132 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES CN1CCCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 Show InChI InChI=1S/C15H19ClFN3O2/c1-20-6-2-3-10(9-20)8-18-14(21)15(22)19-11-4-5-12(16)13(17)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)	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