BDBM50333261 CHEMBL1641635::N1-(4-chloro-3-fluorophenyl)-N2-(1-propylpiperidin-3-yl)oxalamide

SMILES: CCCN1CCCC(C1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1

InChI Key: InChIKey=VJANRDVJTYOXQP-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 = 50333261   

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...)	BDBM50333261 (CHEMBL1641635 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES CCCN1CCCC(C1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C16H21ClFN3O2/c1-2-7-21-8-3-4-12(10-21)20-16(23)15(22)19-11-5-6-13(17)14(18)9-11/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+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...)	BDBM50333261 (CHEMBL1641635 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES CCCN1CCCC(C1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C16H21ClFN3O2/c1-2-7-21-8-3-4-12(10-21)20-16(23)15(22)19-11-5-6-13(17)14(18)9-11/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+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