BDBM168436 US9675591, SKA-19

SMILES: Nc1nc2ccc(SC(F)(F)F)cc2s1

InChI Key: InChIKey=PBRVVEXJMLEKMJ-UHFFFAOYSA-N

Data: 7 IC50  9 EC50

PDB links: 1 PDB ID matches 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 16 hits for monomerid = 168436   

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
Small conductance calcium-activated potassium channel protein 1 (KCa2.1) (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021
					More data for this Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3) (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair
Sodium channel alpha subunit (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	6.90E+3	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair
Sodium channel protein type 2 alpha subunit (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	7.90E+3	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3) (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4) (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	5.80E+3	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair
Voltage-gated potassium channel subunit Kv2.1 (Kv2.1) (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	2.23E+4	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by...				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021
					More data for this Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 2 (KCa2.2) (Rattus norvegicus (Rat))	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	7.35	25
The Regents of the University of California US Patent					Assay Description All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...				US Patent US9675591 (2017) BindingDB Entry DOI: 10.7270/Q26T0JSP
					More data for this Ligand-Target Pair