Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'daley' and Initial = 'c'   

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 8 subunit alpha (Homo sapiens (Human))	BDBM50240277 (CHEMBL4061793) Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50240278 (CHEMBL4062780) Show SMILES CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022671 (CHEMBL3298265) Show SMILES Cc1cn2cc(CNc3ncnc4ccc(nc34)N3CCC[C@@H]3c3cc(F)ccc3F)nc2s1 |r| Show InChI InChI=1S/C24H21F2N7S/c1-14-11-32-12-16(30-24(32)34-14)10-27-23-22-19(28-13-29-23)6-7-21(31-22)33-8-2-3-20(33)17-9-15(25)4-5-18(17)26/h4-7,9,11-13,20H,2-3,8,10H2,1H3,(H,27,28,29)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446392 (CHEMBL3109645 | US9181261, 2) Show SMILES CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N4O2/c1-12(2)26(11-13-10-24-17-16(13)4-3-9-23-17)18(27)25-14-5-7-15(8-6-14)28-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM50240282 (CHEMBL4090731) Show SMILES CC1(C)CN2CCC[C@@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240279 (CHEMBL4080553) Show SMILES Fc1cnc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)s1 Show InChI InChI=1S/C17H19ClF2N4O2S2/c18-11-7-14(28(25,26)23-16-21-9-15(20)27-16)12(19)8-13(11)22-10-17-3-1-5-24(17)6-2-4-17/h7-9,22H,1-6,10H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022675 (CHEMBL3298268) Show SMILES CC(C)(C)c1cc(NC(=O)Cn2cc(nn2)-c2ccc(nc2)-n2ccnc2)n(n1)-c1cccnc1 Show InChI InChI=1S/C24H24N10O/c1-24(2,3)20-11-22(34(30-20)18-5-4-8-25-13-18)28-23(35)15-33-14-19(29-31-33)17-6-7-21(27-12-17)32-10-9-26-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240277 (CHEMBL4061793) Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022675 (CHEMBL3298268) Show SMILES CC(C)(C)c1cc(NC(=O)Cn2cc(nn2)-c2ccc(nc2)-n2ccnc2)n(n1)-c1cccnc1 Show InChI InChI=1S/C24H24N10O/c1-24(2,3)20-11-22(34(30-20)18-5-4-8-25-13-18)28-23(35)15-33-14-19(29-31-33)17-6-7-21(27-12-17)32-10-9-26-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022674 (CHEMBL3298267) Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1 Show InChI InChI=1S/C26H24N8O/c1-18-14-32(17-27-18)21-11-9-20(10-12-21)24-15-33(31-29-24)16-26(35)28-25-13-23(19-7-8-19)30-34(25)22-5-3-2-4-6-22/h2-6,9-15,17,19H,7-8,16H2,1H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240280 (CHEMBL4065038) Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C16H19ClFN5O2S2/c17-11-7-14(27(24,25)22-15-20-10-21-26-15)12(18)8-13(11)19-9-16-3-1-5-23(16)6-2-4-16/h7-8,10,19H,1-6,9H2,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446392 (CHEMBL3109645 | US9181261, 2) Show SMILES CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N4O2/c1-12(2)26(11-13-10-24-17-16(13)4-3-9-23-17)18(27)25-14-5-7-15(8-6-14)28-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phsophorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic as...				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022670 (CHEMBL3297748) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncnc3ccc(NCc4cccc(Cl)c4)nc23)cc1 Show InChI InChI=1S/C25H26ClN7/c1-32-11-13-33(14-12-32)21-7-5-20(6-8-21)30-25-24-22(28-17-29-25)9-10-23(31-24)27-16-18-3-2-4-19(26)15-18/h2-10,15,17H,11-14,16H2,1H3,(H,27,31)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50242510 (CHEMBL4095146) Show SMILES C[C@H](c1ccccc1CN)n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1cccc(F)n1 |r| Show InChI InChI=1S/C21H18F2N4O4S/c1-12(14-6-3-2-5-13(14)11-24)27-16-9-15(22)18(10-17(16)31-21(27)28)32(29,30)26-20-8-4-7-19(23)25-20/h2-10,12H,11,24H2,1H3,(H,25,26)/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated mouse Nav1.7alpha incubated for 5 mins measured at 10 secs interval by PatchXpress automated electrophysiology method				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50240267 (CHEMBL2325014) Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells measured after 5 to 10 mins post compound washout by PatchXpress automated ...				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240267 (CHEMBL2325014) Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240278 (CHEMBL4062780) Show SMILES CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240294 (CHEMBL4100134) Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H19Cl2FN4O2S2/c18-11-7-14(28(25,26)23-16-21-9-15(19)27-16)12(20)8-13(11)22-10-17-3-1-5-24(17)6-2-4-17/h7-9,22H,1-6,10H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50240278 (CHEMBL4062780) Show SMILES CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins measured after depolarization to 7 mV for 8s followed by 20ms pulse w...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50240278 (CHEMBL4062780) Show SMILES CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated mouse Nav1.7 expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs interval...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022671 (CHEMBL3298265) Show SMILES Cc1cn2cc(CNc3ncnc4ccc(nc34)N3CCC[C@@H]3c3cc(F)ccc3F)nc2s1 |r| Show InChI InChI=1S/C24H21F2N7S/c1-14-11-32-12-16(30-24(32)34-14)10-27-23-22-19(28-13-29-23)6-7-21(31-22)33-8-2-3-20(33)17-9-15(25)4-5-18(17)26/h4-7,9,11-13,20H,2-3,8,10H2,1H3,(H,27,28,29)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phsophorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic as...				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50240277 (CHEMBL4061793) Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated mouse Nav1.7 expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs interval...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50240277 (CHEMBL4061793) Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins measured after depolarization to 7 mV for 8s followed by 20ms pulse w...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50240282 (CHEMBL4090731) Show SMILES CC1(C)CN2CCC[C@@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins measured after depolarization to 7 mV for 8s followed by 20ms pulse w...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50242509 (CHEMBL4068937) Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ...				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50557912 (CHEMBL4795905) Show SMILES Fc1cc(NCC2(Cc3ccccc3)CCCN2)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240282 (CHEMBL4090731) Show SMILES CC1(C)CN2CCC[C@@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50024250 (CHEMBL2324000) Show SMILES Cn1nccc1-c1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C20H15N5O3S2/c1-25-17(8-9-23-25)16-4-2-3-5-19(16)28-18-7-6-15(12-14(18)13-21)30(26,27)24-20-22-10-11-29-20/h2-12H,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at -120 mV holding potential measured for 8 sec by patch-clamp method				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50242509 (CHEMBL4068937) Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of Nav1.2 (unknown origin)				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022720 (CHEMBL3298161) Show SMILES OC(=O)c1cc2cc(ccc2n1CCOc1ccc(OC(F)(F)F)cc1)-c1cc[nH]n1 Show InChI InChI=1S/C21H16F3N3O4/c22-21(23,24)31-16-4-2-15(3-5-16)30-10-9-27-18-6-1-13(17-7-8-25-26-17)11-14(18)12-19(27)20(28)29/h1-8,11-12H,9-10H2,(H,25,26)(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240291 (CHEMBL4064700) Show SMILES Cc1nc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)sc1F Show InChI InChI=1S/C18H21ClF2N4O2S2/c1-11-16(21)28-17(23-11)24-29(26,27)15-8-12(19)14(9-13(15)20)22-10-18-4-2-6-25(18)7-3-5-18/h8-9,22H,2-7,10H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50242509 (CHEMBL4068937) Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50242509 (CHEMBL4068937) Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of NaV1.7 channel in human DRG neurons assessed as reduction of TTX-sensitive current by whole cell patch clamp assay				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50242510 (CHEMBL4095146) Show SMILES C[C@H](c1ccccc1CN)n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1cccc(F)n1 |r| Show InChI InChI=1S/C21H18F2N4O4S/c1-12(14-6-3-2-5-13(14)11-24)27-16-9-15(22)18(10-17(16)31-21(27)28)32(29,30)26-20-8-4-7-19(23)25-20/h2-10,12H,11,24H2,1H3,(H,25,26)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ...				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240292 (CHEMBL4092379) Show SMILES Cc1csc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)n1 Show InChI InChI=1S/C18H22ClFN4O2S2/c1-12-10-27-17(22-12)23-28(25,26)16-8-13(19)15(9-14(16)20)21-11-18-4-2-6-24(18)7-3-5-18/h8-10,21H,2-7,11H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50557923 (CHEMBL4795859) Show SMILES [#6]-[#7]-[#6@H](-[#6]-[#7]-c1cc(F)c(cc1Cl)S(=O)(=O)[#7]-c1ncc(F)s1)-[#6][Si;v4]([#6])([#6])[#6] |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240289 (CHEMBL4102586) Show SMILES Fc1cccc(NS(=O)(=O)c2cc(Cl)c(NCC34CCCN3CCC4)cc2F)n1 Show InChI InChI=1S/C19H21ClF2N4O2S/c20-13-10-16(29(27,28)25-18-5-1-4-17(22)24-18)14(21)11-15(13)23-12-19-6-2-8-26(19)9-3-7-19/h1,4-5,10-11,23H,2-3,6-9,12H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022672 (CHEMBL3298266) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1 Show InChI InChI=1S/C27H26N8O2/c1-18-14-33(17-28-18)24-11-10-20(12-25(24)37-2)23-15-34(32-30-23)16-27(36)29-26-13-22(19-8-9-19)31-35(26)21-6-4-3-5-7-21/h3-7,10-15,17,19H,8-9,16H2,1-2H3,(H,29,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022720 (CHEMBL3298161) Show SMILES OC(=O)c1cc2cc(ccc2n1CCOc1ccc(OC(F)(F)F)cc1)-c1cc[nH]n1 Show InChI InChI=1S/C21H16F3N3O4/c22-21(23,24)31-16-4-2-15(3-5-16)30-10-9-27-18-6-1-13(17-7-8-25-26-17)11-14(18)12-19(27)20(28)29/h1-8,11-12H,9-10H2,(H,25,26)(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phsophorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic as...				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022677 (CHEMBL3298270 | US9181261, 17) Show SMILES CC(C)N(Cc1cccc(c1)-c1nccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H20F3N3O2S/c1-14(2)27(13-15-4-3-5-16(12-15)19-25-10-11-30-19)20(28)26-17-6-8-18(9-7-17)29-21(22,23)24/h3-12,14H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022679 (CHEMBL3298365) Show SMILES CCOc1cccc(c1)-c1nccc2n(CCOc3ccc(OC(F)(F)F)cc3)c(cc12)C(O)=O Show InChI InChI=1S/C25H21F3N2O5/c1-2-33-19-5-3-4-16(14-19)23-20-15-22(24(31)32)30(21(20)10-11-29-23)12-13-34-17-6-8-18(9-7-17)35-25(26,27)28/h3-11,14-15H,2,12-13H2,1H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022674 (CHEMBL3298267) Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1 Show InChI InChI=1S/C26H24N8O/c1-18-14-32(17-27-18)21-11-9-20(10-12-21)24-15-33(31-29-24)16-26(35)28-25-13-23(19-7-8-19)30-34(25)22-5-3-2-4-6-22/h2-6,9-15,17,19H,7-8,16H2,1H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50242508 (CHEMBL4084948) Show SMILES C[C@H](c1ccccc1)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C17H14N4O4S2/c1-11(12-5-3-2-4-6-12)21-14-8-7-13(9-15(14)25-17(21)22)27(23,24)20-16-18-10-19-26-16/h2-11H,1H3,(H,18,19,20)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ...				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50242509 (CHEMBL4068937) Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of NaV1.7 channel in mouse DRG neurons assessed as reduction of TTX-sensitive current by whole cell patch clamp assay				Bioorg Med Chem Lett 27: 2683-2688 (2017) Article DOI: 10.1016/j.bmcl.2017.04.040 BindingDB Entry DOI: 10.7270/Q2SN0CD7
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240290 (CHEMBL4084643) Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-7-15(27(24,25)22-16-9-26-11-21-16)13(19)8-14(12)20-10-17-3-1-5-23(17)6-2-4-17/h7-9,11,20,22H,1-6,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240278 (CHEMBL4062780) Show SMILES CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022757 (CHEMBL3298163) Show SMILES CCOc1cccc(c1)-c1nccc2n(CCOc3ccccc3)c(cc12)C(O)=O Show InChI InChI=1S/C24H22N2O4/c1-2-29-19-10-6-7-17(15-19)23-20-16-22(24(27)28)26(21(20)11-12-25-23)13-14-30-18-8-4-3-5-9-18/h3-12,15-16H,2,13-14H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240281 (CHEMBL4086486) Show SMILES Fc1cc(c(F)cc1NCC12CCCN1CCC2)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C16H19F2N5O2S2/c17-11-8-14(27(24,25)22-15-20-10-21-26-15)12(18)7-13(11)19-9-16-3-1-5-23(16)6-2-4-16/h7-8,10,19H,1-6,9H2,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Department of Discovery Chemistry Merck& Co. Curated by ChEMBL					Assay Description Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...				Bioorg Med Chem Lett 27: 2087-2093 (2017) Article DOI: 10.1016/j.bmcl.2017.03.085 BindingDB Entry DOI: 10.7270/Q29025XB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022681 (CHEMBL3298535) Show SMILES OC(=O)c1cc2cc(ccc2n1CCOc1ccc(OC(F)(F)F)cc1)C#N Show InChI InChI=1S/C19H13F3N2O4/c20-19(21,22)28-15-4-2-14(3-5-15)27-8-7-24-16-6-1-12(11-23)9-13(16)10-17(24)18(25)26/h1-6,9-10H,7-8H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phsophorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic as...				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50557924 (CHEMBL4758676) Show SMILES CN[C@H](CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1)CC12CC(C1)C2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T
					More data for this Ligand-Target Pair

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