BDBM50078048 1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-ylideneamine::1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-2-ylidene-ammonium::1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-2-ylideneamine::CHEMBL309804

SMILES: NC1=NCCN1Cc1ccc(Cl)nc1

InChI Key: InChIKey=UEQZFAGVRGWPDK-UHFFFAOYSA-N

Data: 5 KI  6 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 11 hits for monomerid = 50078048   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Potency to displace [3H]-Nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 immuno-isolated from M10 cells				J Med Chem 45: 2832-40 (2002) BindingDB Entry DOI: 10.7270/Q2KD1X85
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic acetylcholine receptor assessed as [3H]NIC binding by radioligand bindi...				J Agric Food Chem 59: 2825-8 (2011) Article DOI: 10.1021/jf1019455 BindingDB Entry DOI: 10.7270/Q2GF0XCJ
					More data for this Ligand-Target Pair
Soluble acetylcholine receptor (Aplysia Californica)	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Binding affinity to salt water mollusc Aplysia californica AChBP Y55W mutant assessed as [3H]acetamiprid binding by radioligand binding assay				J Agric Food Chem 59: 2825-8 (2011) Article DOI: 10.1021/jf1019455 BindingDB Entry DOI: 10.7270/Q2GF0XCJ
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Binding affinity to freshwater snail Lymnaea stagnalis AChBP assessed as [3H]EPI binding by radioligand binding assay				J Agric Food Chem 59: 2825-8 (2011) Article DOI: 10.1021/jf1019455 BindingDB Entry DOI: 10.7270/Q2GF0XCJ
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2 (Drosophila melanogaster)	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay				J Agric Food Chem 59: 2825-8 (2011) Article DOI: 10.1021/jf1019455 BindingDB Entry DOI: 10.7270/Q2GF0XCJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha7 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2 (Drosophila melanogaster)	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]IMI binding to Drosophila melanogaster neuronal acetylcholine receptor				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Mus musculus)	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]nicotine binding to alpha4 nicotinic acetylcholine receptor in Mus musculus (mouse) M10 cells co-expressing beta2 nicotinic acetylc...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]nicotine binding to alpha3 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells co-expressing beta2beta4alpha5 Ni...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.				J Med Chem 42: 2227-34 (1999) Article DOI: 10.1021/jm980721x BindingDB Entry DOI: 10.7270/Q23X89CJ
					More data for this Ligand-Target Pair