BDBM50295953 2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S)-pyrrolidinyl)methoxy)-pyridine::CHEMBL560788

SMILES: Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1

InChI Key: InChIKey=CRYOUEVORXBVRJ-LBPRGKRZSA-N

Data: 6 KI

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 = 50295953   

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-2 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha2beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair