BDBM50319968 CHEMBL1085780::N-benzyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine

SMILES: C(Nc1ccnc(n1)N1CCCC1)c1ccccc1

InChI Key: InChIKey=PGBNXXDXGXQQRQ-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50319968   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319968 (CHEMBL1085780 | N-benzyl-2-(pyrrolidin-1-yl)pyrimi...) Show SMILES C(Nc1ccnc(n1)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-2-6-13(7-3-1)12-17-14-8-9-16-15(18-14)19-10-4-5-11-19/h1-3,6-9H,4-5,10-12H2,(H,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50319968 (CHEMBL1085780 | N-benzyl-2-(pyrrolidin-1-yl)pyrimi...) Show SMILES C(Nc1ccnc(n1)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-2-6-13(7-3-1)12-17-14-8-9-16-15(18-14)19-10-4-5-11-19/h1-3,6-9H,4-5,10-12H2,(H,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BChE incubated with compounf for 5 mins before addition of substrate S-butyrylthiocholine iodide by Ellman's method				Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50319968 (CHEMBL1085780 | N-benzyl-2-(pyrrolidin-1-yl)pyrimi...) Show SMILES C(Nc1ccnc(n1)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-2-6-13(7-3-1)12-17-14-8-9-16-15(18-14)19-10-4-5-11-19/h1-3,6-9H,4-5,10-12H2,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method				Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319968 (CHEMBL1085780 | N-benzyl-2-(pyrrolidin-1-yl)pyrimi...) Show SMILES C(Nc1ccnc(n1)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-2-6-13(7-3-1)12-17-14-8-9-16-15(18-14)19-10-4-5-11-19/h1-3,6-9H,4-5,10-12H2,(H,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair