BDBM50254387 CHEMBL4062193

SMILES: Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F

InChI Key: InChIKey=QGIXOJCLJSPCPO-UHFFFAOYSA-N

Data: 10 IC50  2 EC50

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 = 50254387   

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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of Nav1.5 (unknown origin)				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of Nav1.7 (unknown origin)				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of TRPV1 (unknown origin)				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2 (Homo sapiens)	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Binding affinity to SK2 (unknown origin)				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 by calcium flux based FLIPR assay				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 by calcium flux based FLIPR assay				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of KCNQ1 (unknown origin)				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3 (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Activation of KCNQ2/3 (unknown origin)				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of full length human TRPA1 oS5 chimera at a holding potential of 15 mV measured after 1 min by PatchXpress electrophysiology assay				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of rat TRPA1 at a holding potential of 15 mV measured after 1 min by whole-cell manual patch clamp electrophysiology assay				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of human ERG				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50254387 (CHEMBL4062193) Show SMILES Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F Show InChI InChI=1S/C13H7F5N4O/c14-8-2-1-6(3-9(8)15)20-12-11-10(21-22-12)4-7(5-19-11)23-13(16,17)18/h1-5H,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Medicinal Chemistry, Neuroscience and Pain Research Unit, Portway Building, Granta Park, Great Abington, Cambridgeshire CB21 6GS, U.K. Curated by ChEMBL					Assay Description Inhibition of full length rat TRPA1 at a holding potential of 15 mV measured after 1 min by PatchXpress electrophysiology assay				ACS Med Chem Lett 8: 666-671 (2017) Article DOI: 10.1021/acsmedchemlett.7b00140 BindingDB Entry DOI: 10.7270/Q2C24ZWG
					More data for this Ligand-Target Pair