Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'kalvass' and Initial = 'jc'   

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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123737 (3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...) Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound to the human Neuropeptide Y receptor type 5 was determined using [125I]- [PYY] as radioligand				J Med Chem 46: 670-3 (2003) Article DOI: 10.1021/jm025584p BindingDB Entry DOI: 10.7270/Q2V987DS
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Rat 6B)	BDBM50123737 (3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...) Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound to the rat Neuropeptide Y receptor type 5 was determined using [125I]- [Leu31,Pro34]PYY as radioligand				J Med Chem 46: 670-3 (2003) Article DOI: 10.1021/jm025584p BindingDB Entry DOI: 10.7270/Q2V987DS
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50017659 (2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...) Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600343 (CHEMBL5196338) Show SMILES O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50600343 (CHEMBL5196338) Show SMILES O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600348 (CHEMBL5178152) Show SMILES CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600347 (CHEMBL5208962) Show SMILES O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600344 (CHEMBL5202508) Show SMILES N#Cc1ccc(Oc2ccc3nc(OCCN4CCCCC4)ccc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600345 (CHEMBL5194066) Show SMILES O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600358 (CHEMBL5197315) Show SMILES CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600346 (CHEMBL5173050) Show SMILES O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600359 (CHEMBL5203589) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(OCC(=O)N4CCNC(=O)C4)ccc3c2)nc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600357 (CHEMBL5173502) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(OCC(=O)N4CCNCC4)ccc3c2)nc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600349 (CHEMBL5194991) Show SMILES O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCNC(=O)C1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50017659 (2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...) Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250725 (US9452986, 29) Show SMILES CS(=O)(=O)C1CN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H16F3N3O4S/c1-31(28,29)15-10-26(11-15)19(27)17-5-2-12-8-14(4-6-16(12)25-17)30-18-7-3-13(9-24-18)20(21,22)23/h2-9,15H,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250911 (US9452986, 215) Show SMILES FC(F)(F)S(=O)(=O)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C21H18F3N3O4S/c22-21(23,24)32(29,30)17-5-2-15(3-6-17)31-16-4-8-18-14(13-16)1-7-19(26-18)20(28)27-11-9-25-10-12-27/h1-8,13,25H,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250945 (US9452986, 249) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C21H18F3N3O2/c22-21(23,24)15-2-4-16(5-3-15)29-17-6-8-18-14(13-17)1-7-19(26-18)20(28)27-11-9-25-10-12-27/h1-8,13,25H,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM251226 (US9452986, 530) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1 Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250698 (US9452986, 1) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H17F3N4O2/c21-20(22,23)14-2-6-18(25-12-14)29-15-3-5-16-13(11-15)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600341 (CHEMBL5182301) Show SMILES O=c1ccc2cc(ccc2n1CCN1CCCCC1)-c1ccc(cc1)C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600360 (CHEMBL5170090) Show SMILES O=C(N1CCNCC1)c1ccc2cc(OCc3ccc(cc3)C#N)ccc2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250845 (US9452986, 149) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCOC2)nc1 Show InChI InChI=1S/C20H16F3N3O3/c21-20(22,23)13-2-6-18(24-10-13)29-15-3-5-16-12(9-15)1-4-17(26-16)19(27)25-14-7-8-28-11-14/h1-6,9-10,14H,7-8,11H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600343 (CHEMBL5196338) Show SMILES O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600344 (CHEMBL5202508) Show SMILES N#Cc1ccc(Oc2ccc3nc(OCCN4CCCCC4)ccc3c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600341 (CHEMBL5182301) Show SMILES O=c1ccc2cc(ccc2n1CCN1CCCCC1)-c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600350 (CHEMBL5186539) Show SMILES NC(=O)CNC(=O)COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM251127 (US9452986, 431) Show SMILES FC(F)(F)Oc1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-3-6-18(25-12-15)29-14-2-5-16-13(11-14)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250748 (US9452986, 52) Show SMILES F[C@@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250698 (US9452986, 1) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H17F3N4O2/c21-20(22,23)14-2-6-18(25-12-14)29-15-3-5-16-13(11-15)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250730 (US9452986, 34) Show SMILES O[C@H]1C[C@H](C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 |wU:1.0,3.5,(11.12,-1.96,;9.78,-1.19,;8.3,-1.59,;7.9,-.1,;9.38,.3,;6.56,.67,;5.23,-.1,;5.23,-1.64,;3.9,.67,;3.9,2.21,;2.56,2.98,;1.23,2.21,;-.11,2.98,;-1.44,2.21,;-2.77,2.98,;-4.11,2.21,;-4.11,.67,;-5.44,-.1,;-6.77,.67,;-6.77,2.21,;-5.44,2.98,;-8.11,-.1,;-9.44,-.87,;-7.34,-1.43,;-8.88,1.23,;-1.44,.67,;-.11,-.1,;1.23,.67,;2.56,-.1,)| Show InChI InChI=1S/C20H16F3N3O3/c21-20(22,23)12-2-6-18(24-10-12)29-15-3-5-16-11(7-15)1-4-17(26-16)19(28)25-13-8-14(27)9-13/h1-7,10,13-14,27H,8-9H2,(H,25,28)/t13-,14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250808 (US9452986, 112) Show SMILES O=C(N1CCNCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1 Show InChI InChI=1S/C21H18N4O2/c22-14-15-1-4-17(5-2-15)27-18-6-8-19-16(13-18)3-7-20(24-19)21(26)25-11-9-23-10-12-25/h1-8,13,23H,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM250698 (US9452986, 1) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H17F3N4O2/c21-20(22,23)14-2-6-18(25-12-14)29-15-3-5-16-13(11-15)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50600343 (CHEMBL5196338) Show SMILES O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM251292 (US9452986, 596) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCC2)nc1 Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)13-5-9-18(24-11-13)28-15-6-8-16-12(10-15)4-7-17(26-16)19(27)25-14-2-1-3-14/h4-11,14H,1-3H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600347 (CHEMBL5208962) Show SMILES O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250755 (US9452986, 59) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(F)(F)C2)nc1 Show InChI InChI=1S/C20H14F5N3O2/c21-19(22)8-13(9-19)27-18(29)16-4-1-11-7-14(3-5-15(11)28-16)30-17-6-2-12(10-26-17)20(23,24)25/h1-7,10,13H,8-9H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50600353 (CHEMBL5186480) Show SMILES CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600352 (CHEMBL5179783) Show SMILES O=C(COc1ccc2cc(Oc3ccccn3)ccc2n1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600353 (CHEMBL5186480) Show SMILES CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600356 (CHEMBL5180334) Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(OCC(=O)N4CCCCC4)ccc3c2)nc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250703 (US9452986, 7) Show SMILES CC(=O)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C22H21N3O3/c1-15(26)16-2-5-18(6-3-16)28-19-7-9-20-17(14-19)4-8-21(24-20)22(27)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250710 (US9452986, 14) Show SMILES FC(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H18F2N4O2/c21-19(22)14-2-6-18(24-12-14)28-15-3-5-16-13(11-15)1-4-17(25-16)20(27)26-9-7-23-8-10-26/h1-6,11-12,19,23H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250848 (US9452986, 152) Show SMILES FC(F)(F)c1ccnc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)c1 Show InChI InChI=1S/C20H17F3N4O2/c21-20(22,23)14-5-6-25-18(12-14)29-15-2-4-16-13(11-15)1-3-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM50600343 (CHEMBL5196338) Show SMILES O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250747 (US9452986, 51) Show SMILES F[C@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250710 (US9452986, 14) Show SMILES FC(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H18F2N4O2/c21-19(22)14-2-6-18(24-12-14)28-15-3-5-16-13(11-15)1-4-17(25-16)20(27)26-9-7-23-8-10-26/h1-6,11-12,19,23H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250947 (US9452986, 251) Show SMILES CS(=O)(=O)CCNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C19H16F3N3O4S/c1-30(27,28)9-8-23-18(26)16-5-2-12-10-14(4-6-15(12)25-16)29-17-7-3-13(11-24-17)19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600349 (CHEMBL5194991) Show SMILES O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCNC(=O)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250748 (US9452986, 52) Show SMILES F[C@@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair

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