BDBM50455616 CHEMBL4215993

SMILES: CCN(CC)Cc1cc(N)ccc1O

InChI Key: InChIKey=ZRQOUZWNXZFZQK-UHFFFAOYSA-N

Data: 4 KI  3 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 7 hits for monomerid = 50455616   

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 (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human AChE using varying levels of acetylthiocholine as substrate				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk plo...				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human AChE using varying levels of acetylthiocholine as substrate				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Non-competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk...				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Protein kinase C iota type/zeta type (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+6	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine as substrate by DTNB reagent based assay				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair