BDBM50333268 CHEMBL1645124::N1-(4-chloro-3-fluorophenyl)-N2-(piperidin-4-ylmethyl)oxalamide

SMILES: Fc1cc(NC(=O)C(=O)NCC2CCNCC2)ccc1Cl

InChI Key: InChIKey=HXPQTFCNAOXICX-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 = 50333268   

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...)	BDBM50333268 (CHEMBL1645124 | N1-(4-chloro-3-fluorophenyl)-N2-(p...) Show SMILES Fc1cc(NC(=O)C(=O)NCC2CCNCC2)ccc1Cl Show InChI InChI=1S/C14H17ClFN3O2/c15-11-2-1-10(7-12(11)16)19-14(21)13(20)18-8-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6,8H2,(H,18,20)(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+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...)	BDBM50333268 (CHEMBL1645124 | N1-(4-chloro-3-fluorophenyl)-N2-(p...) Show SMILES Fc1cc(NC(=O)C(=O)NCC2CCNCC2)ccc1Cl Show InChI InChI=1S/C14H17ClFN3O2/c15-11-2-1-10(7-12(11)16)19-14(21)13(20)18-8-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6,8H2,(H,18,20)(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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