BDBM50078044 3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-ylideneamine::3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-2-ylideneamine::CHEMBL72675

SMILES: Clc1ccc(Cn2ccsc2=N)cn1

InChI Key: InChIKey=RLSQXMJPNPUPPZ-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50078044   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50078044 (3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...) Show SMILES Clc1ccc(Cn2ccsc2=N)cn1 Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.390	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
Acetylcholine receptor subunit beta-like 2 (Drosophila melanogaster)	BDBM50078044 (3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...) Show SMILES Clc1ccc(Cn2ccsc2=N)cn1 Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2	MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	185	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 protein alpha-7 subunit (Homo sapiens (Human))	BDBM50078044 (3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...) Show SMILES Clc1ccc(Cn2ccsc2=N)cn1 Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+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
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon (Homo sapiens (Human))	BDBM50078044 (3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...) Show SMILES Clc1ccc(Cn2ccsc2=N)cn1 Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+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 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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50078044 (3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...) Show SMILES Clc1ccc(Cn2ccsc2=N)cn1 Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.910	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
Neuronal acetylcholine receptor subunit alpha-4 (Mus musculus)	BDBM50078044 (3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...) Show SMILES Clc1ccc(Cn2ccsc2=N)cn1 Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	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