Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50002811   

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
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50143558 (CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463338 (CHEMBL4244768) Show SMILES Cc1csc2CCN(Cc12)c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1 Show InChI InChI=1S/C22H30N2OS/c1-14-9-17(24-8-7-19-18(12-24)16(3)13-26-19)10-15(2)21(14)23-20(25)11-22(4,5)6/h9-10,13H,7-8,11-12H2,1-6H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463339 (CHEMBL4250839) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCCCc2cc(Cl)ccc12 Show InChI InChI=1S/C24H31ClN2O/c1-16-12-20(13-17(2)23(16)26-22(28)15-24(3,4)5)27-11-7-6-8-18-14-19(25)9-10-21(18)27/h9-10,12-14H,6-8,11,15H2,1-5H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463340 (CHEMBL4244025) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCc2cc(F)sc2C1 Show InChI InChI=1S/C21H27FN2OS/c1-13-8-16(24-7-6-15-10-18(22)26-17(15)12-24)9-14(2)20(13)23-19(25)11-21(3,4)5/h8-10H,6-7,11-12H2,1-5H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463341 (CHEMBL4238783) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCc2ccsc2C1 Show InChI InChI=1S/C21H28N2OS/c1-14-10-17(23-8-6-16-7-9-25-18(16)13-23)11-15(2)20(14)22-19(24)12-21(3,4)5/h7,9-11H,6,8,12-13H2,1-5H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463342 (CHEMBL4247002) Show SMILES Cc1ccc2N(CCCCc2c1)c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1 Show InChI InChI=1S/C25H34N2O/c1-17-10-11-22-20(13-17)9-7-8-12-27(22)21-14-18(2)24(19(3)15-21)26-23(28)16-25(4,5)6/h10-11,13-15H,7-9,12,16H2,1-6H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463349 (CHEMBL4250878) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCc2sccc2C1 Show InChI InChI=1S/C21H28N2OS/c1-14-10-17(23-8-6-18-16(13-23)7-9-25-18)11-15(2)20(14)22-19(24)12-21(3,4)5/h7,9-11H,6,8,12-13H2,1-5H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463344 (CHEMBL4246564) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCCCc2cc(F)ccc12 Show InChI InChI=1S/C24H31FN2O/c1-16-12-20(13-17(2)23(16)26-22(28)15-24(3,4)5)27-11-7-6-8-18-14-19(25)9-10-21(18)27/h9-10,12-14H,6-8,11,15H2,1-5H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463345 (CHEMBL4247074) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCn2cccc2C1 Show InChI InChI=1S/C21H29N3O/c1-15-11-18(24-10-9-23-8-6-7-17(23)14-24)12-16(2)20(15)22-19(25)13-21(3,4)5/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463346 (CHEMBL4250403) Show SMILES Cc1cc2CCN(Cc2s1)c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1 Show InChI InChI=1S/C22H30N2OS/c1-14-9-18(24-8-7-17-11-16(3)26-19(17)13-24)10-15(2)21(14)23-20(25)12-22(4,5)6/h9-11H,7-8,12-13H2,1-6H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463347 (CHEMBL4246596) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCc2sc(cc2C1)C(F)(F)F Show InChI InChI=1S/C22H27F3N2OS/c1-13-8-16(9-14(2)20(13)26-19(28)11-21(3,4)5)27-7-6-17-15(12-27)10-18(29-17)22(23,24)25/h8-10H,6-7,11-12H2,1-5H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463348 (CHEMBL4246239) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCc2sc(cc2C1)C#N Show InChI InChI=1S/C22H27N3OS/c1-14-8-17(9-15(2)21(14)24-20(26)11-22(3,4)5)25-7-6-19-16(13-25)10-18(12-23)27-19/h8-10H,6-7,11,13H2,1-5H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50463343 (CHEMBL4242757) Show SMILES Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCCCc2cc(Br)ccc12 Show InChI InChI=1S/C24H31BrN2O/c1-16-12-20(13-17(2)23(16)26-22(28)15-24(3,4)5)27-11-7-6-8-18-14-19(25)9-10-21(18)27/h9-10,12-14H,6-8,11,15H2,1-5H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a
Nanjing University of Technology Curated by ChEMBL					Assay Description Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay				Bioorg Med Chem Lett 28: 3004-3008 (2018) Article DOI: 10.1016/j.bmcl.2018.05.019 BindingDB Entry DOI: 10.7270/Q2H997WB
					More data for this Ligand-Target Pair