BDBM258125 US9493448, 27::US9597330, Example 4::US9845313, Example 27

SMILES: Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1

InChI Key: InChIKey=GNEIAVSENMALRU-DYVFJYSZSA-N

Data: 8 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 8 hits for monomerid = 258125   

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 9 subunit alpha (Homo sapiens (Human))	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	7.3	37
DAIICHI SANKYO COMPANY, LIMITED US Patent					Assay Description Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o...				US Patent US9493448 (2016) BindingDB Entry DOI: 10.7270/Q29022QD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited US Patent					Assay Description Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...				US Patent US9597330 (2017) BindingDB Entry DOI: 10.7270/Q28054PM
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
DAIICHI SANKYO COMPANY, LIMITED US Patent					Assay Description Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The...				US Patent US9845313 (2017) BindingDB Entry DOI: 10.7270/Q25141H5
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks high-throughput electrophysiology method				J Med Chem 63: 10204-10220 (2020)
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human NaV1.5/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method				J Med Chem 63: 10204-10220 (2020)
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Homo sapiens)	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method				J Med Chem 63: 10204-10220 (2020)
					More data for this Ligand-Target Pair
Sodium channel subunit beta-2 (Mus musculus)	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method				J Med Chem 63: 10204-10220 (2020)
					More data for this Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 (Homo sapiens (Human))	BDBM258125 (US9493448, 27 | US9597330, Example 4 | US9845313, ...) Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r| Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human NaV1.1/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method				J Med Chem 63: 10204-10220 (2020)
					More data for this Ligand-Target Pair