BDBM50251868 (Z)-thiacloprid::CHEMBL451432::{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

SMILES: Clc1ccc(CN2CCS\C2=N/C#N)cn1

InChI Key: InChIKey=HOKKPVIRMVDYPB-UVTDQMKNSA-N

Data: 4 KI  8 IC50

PDB links: 3 PDB IDs match this monomer.

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 12 hits for monomerid = 50251868   

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
Acetylcholine receptor subunit beta-like 2 (Drosophila melanogaster)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20	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 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
Acetylcholine Binding protein (Aplysia Californica)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.90	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				3D Structure (crystal)
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	220	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				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	240	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
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	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
Aldehyde oxidase (Oryctolagus cuniculus)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Oryctolagus cuniculus (rabbit) AOX in liver cytosol				J Agric Food Chem 59: 4860-7 (2011) Article DOI: 10.1021/jf200485k BindingDB Entry DOI: 10.7270/Q2QF8WR8
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Agaricus bisporus (mushroom) tyrosinase				J Agric Food Chem 59: 4860-7 (2011) Article DOI: 10.1021/jf200485k BindingDB Entry DOI: 10.7270/Q2QF8WR8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Mus musculus)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	860	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
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon (Homo sapiens (Human))	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	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
Acetylcholine receptor subunit beta-like 2 (Drosophila melanogaster)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	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
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				J Med Chem 51: 4213-8 (2008) Article DOI: 10.1021/jm800191a BindingDB Entry DOI: 10.7270/Q2D21XDZ
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2 (Drosophila melanogaster)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila melanogaster head membrane after 90 min by filter binding assay				J Neurochem 75: 1294-303 (2000) Article DOI: 10.1046/j.1471-4159.2000.751294.x BindingDB Entry DOI: 10.7270/Q2H134XH
					More data for this Ligand-Target Pair