Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50003415   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium channel protein type 1/2/3 subunit alpha (Rattus norvegicus)	BDBM50021437 (5-Ethyl-5-phenylbarbituric acid | 5-Phenyl-5-ethyl...) Show SMILES CCC1(C(=O)NC(=O)NC1=O)c1ccccc1 Show InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Howard University Curated by ChEMBL					Assay Description Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes				J Med Chem 38: 4033-43 (1995) Article DOI: 10.1021/jm00020a019 BindingDB Entry DOI: 10.7270/Q2DV1NM8
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Rattus norvegicus)	BDBM50101816 (CHEBI:8107 | Dilabid | Dilantin | Dilantin-125 | D...) Show SMILES OC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1 |t:1| Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Howard University Curated by ChEMBL					Assay Description Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes				J Med Chem 38: 4033-43 (1995) Article DOI: 10.1021/jm00020a019 BindingDB Entry DOI: 10.7270/Q2DV1NM8
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Rattus norvegicus)	BDBM50031299 (6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...) Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Howard University Curated by ChEMBL					Assay Description Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes				J Med Chem 38: 4033-43 (1995) Article DOI: 10.1021/jm00020a019 BindingDB Entry DOI: 10.7270/Q2DV1NM8
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Rattus norvegicus)	BDBM50003659 (5H-dibenzo[b,f]azepine-5-carboxamide | CARBAMAZEPI...) Show SMILES NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11| Show InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Howard University Curated by ChEMBL					Assay Description Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes				J Med Chem 38: 4033-43 (1995) Article DOI: 10.1021/jm00020a019 BindingDB Entry DOI: 10.7270/Q2DV1NM8
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Rattus norvegicus)	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Howard University Curated by ChEMBL					Assay Description Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes				J Med Chem 38: 4033-43 (1995) Article DOI: 10.1021/jm00020a019 BindingDB Entry DOI: 10.7270/Q2DV1NM8
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Rattus norvegicus)	BDBM50470610 (CHEMBL340064) Show SMILES COC(=O)[C@H]1[C@H](C)CC(Nc2ccc(OC(F)(F)F)cc2)=CC1=O |c:21| Show InChI InChI=1S/C16H16F3NO4/c1-9-7-11(8-13(21)14(9)15(22)23-2)20-10-3-5-12(6-4-10)24-16(17,18)19/h3-6,8-9,14,20H,7H2,1-2H3/t9-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Howard University Curated by ChEMBL					Assay Description Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes				J Med Chem 38: 4033-43 (1995) Article DOI: 10.1021/jm00020a019 BindingDB Entry DOI: 10.7270/Q2DV1NM8
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Rattus norvegicus)	BDBM50470609 (ADD-196022 | CHEMBL29740) Show SMILES COC(=O)[C@H]1[C@H](C)CC(Nc2ccc(Cl)cc2)=CC1=O |c:17| Show InChI InChI=1S/C15H16ClNO3/c1-9-7-12(8-13(18)14(9)15(19)20-2)17-11-5-3-10(16)4-6-11/h3-6,8-9,14,17H,7H2,1-2H3/t9-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
Howard University Curated by ChEMBL					Assay Description Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes				J Med Chem 38: 4033-43 (1995) Article DOI: 10.1021/jm00020a019 BindingDB Entry DOI: 10.7270/Q2DV1NM8
					More data for this Ligand-Target Pair