Compile Data Set for Download or QSAR

Found 546 hits with Last Name = 'kornecook' and Initial = 't'   

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 H member 2 (Homo sapiens (Human))	BDBM154061 (US9012443, 57) Show SMILES FC(F)(F)c1ccc(cc1Cl)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C18H10ClF3N4O2S2/c19-15-8-11(1-4-14(15)18(20,21)22)16-13-3-2-12(7-10(13)5-6-23-16)30(27,28)26-17-24-9-25-29-17/h1-9H,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50533547 (CHEMBL4537339) Show SMILES CS(=O)(=O)NC(=O)c1cc(F)c(Oc2ccc(Cl)c(Cl)c2)cc1F Show InChI InChI=1S/C14H9Cl2F2NO4S/c1-24(21,22)19-14(20)8-5-12(18)13(6-11(8)17)23-7-2-3-9(15)10(16)4-7/h2-6H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50272533 (CHEMBL4129030) Show SMILES CS(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(Cl)c2)cc1F Show InChI InChI=1S/C15H11Cl2F2NO4S/c1-25(22,23)20-15(21)10-6-13(18)8(4-14(10)19)7-24-9-2-3-11(16)12(17)5-9/h2-6H,7H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50533554 (CHEMBL4470763) Show SMILES CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C17H17ClF2N2O4S/c1-9(2)8-26-17-13(18)4-10(7-21-17)11-5-15(20)12(6-14(11)19)16(23)22-27(3,24)25/h4-7,9H,8H2,1-3H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50533553 (CHEMBL4445237) Show SMILES CS(=O)(=O)NC(=O)c1cc(F)c(cc1F)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H9Cl2F2NO3S/c1-23(21,22)19-14(20)9-6-12(17)8(5-13(9)18)7-2-3-10(15)11(16)4-7/h2-6H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM329203 (4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...) Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1 Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50533549 (CHEMBL4579742) Show SMILES CS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(Cl)c(c3)C(F)(F)F)nccc2c1 Show InChI InChI=1S/C18H12ClF3N2O4S/c1-29(26,27)24-16(25)11-2-4-13-10(8-11)6-7-23-17(13)28-12-3-5-15(19)14(9-12)18(20,21)22/h2-9H,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50533546 (CHEMBL4462738) Show SMILES CC(C)COc1ncc(Oc2nccc3cc(ccc23)C(=O)NS(C)(=O)=O)cc1Cl Show InChI InChI=1S/C20H20ClN3O5S/c1-12(2)11-28-20-17(21)9-15(10-23-20)29-19-16-5-4-14(8-13(16)6-7-22-19)18(25)24-30(3,26)27/h4-10,12H,11H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50533552 (CHEMBL4450471) Show SMILES CS(=O)(=O)NC(=O)c1ccc2c(nccc2c1)-c1ccc(c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C18H12ClF3N2O3S/c1-28(26,27)24-17(25)12-2-4-13-10(8-12)6-7-23-16(13)11-3-5-14(15(19)9-11)18(20,21)22/h2-9H,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50533541 (CHEMBL4559824) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2NO3S/c1-21(19,20)17-14(18)10-4-2-9(3-5-10)11-6-7-12(15)13(16)8-11/h2-8H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis				J Med Chem 59: 7818-39 (2016) Article DOI: 10.1021/acs.jmedchem.6b00425 BindingDB Entry DOI: 10.7270/Q25Q50KX
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50497974 (CHEMBL3319209) Show SMILES CC(=O)N1CCC(CC1)c1nccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H23N5O3/c1-16(31)30-14-10-17(11-15-30)22-25(27-13-12-26-22)33-19-8-6-18(7-9-19)23(32)24-28-20-4-2-3-5-21(20)29-24/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by...				J Med Chem 57: 6632-41 (2014) Article DOI: 10.1021/jm500713j BindingDB Entry DOI: 10.7270/Q26H4MD0
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM124444 (US8759532, 99) Show SMILES O=C(c1nc2ccccc2[nH]1)c1ccc(Oc2ncccc2C2CCOCC2)cc1 Show InChI InChI=1S/C24H21N3O3/c28-22(23-26-20-5-1-2-6-21(20)27-23)17-7-9-18(10-8-17)30-24-19(4-3-13-25-24)16-11-14-29-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by...				J Med Chem 57: 6632-41 (2014) Article DOI: 10.1021/jm500713j BindingDB Entry DOI: 10.7270/Q26H4MD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM124447 (US8759532, 103) Show SMILES CC(=O)N1CCC(CC1)c1cccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C26H24N4O3/c1-17(31)30-15-12-18(13-16-30)21-5-4-14-27-26(21)33-20-10-8-19(9-11-20)24(32)25-28-22-6-2-3-7-23(22)29-25/h2-11,14,18H,12-13,15-16H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by...				J Med Chem 57: 6632-41 (2014) Article DOI: 10.1021/jm500713j BindingDB Entry DOI: 10.7270/Q26H4MD0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450601 (CHEMBL4162835) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C167H245N49O40S6/c1-9-11-36-104-144(236)206-121(71-93-76-187-103-40-19-15-35-98(93)103)156(248)216-135(88(8)218)164(256)215-129-84-262-258-80-125-158(250)197-108(44-23-27-61-171)145(237)204-117(66-86(5)6)151(243)207-120(70-92-75-186-102-39-18-14-34-97(92)102)154(246)213-126(159(251)198-110(46-29-63-182-166(177)178)143(235)191-105(41-20-24-58-168)142(234)200-114(54-57-133(224)225)149(241)202-115(136(174)228)68-90-73-184-100-37-16-12-32-95(90)100)81-259-257-79-124(210-137(229)87(7)189-140(232)109(45-28-62-181-165(175)176)193-141(233)106(42-21-25-59-169)196-157(249)123(78-217)209-155(247)122(72-134(226)227)208-162(129)254)163(255)214-128(160(252)199-112(53-56-132(222)223)139(231)188-77-131(221)190-116(65-85(3)4)150(242)195-111(147(239)211-125)47-30-64-183-167(179)180)83-261-260-82-127(212-152(244)118(203-138(230)99(172)31-10-2)67-89-48-50-94(219)51-49-89)161(253)201-113(52-55-130(173)220)148(240)192-107(43-22-26-60-170)146(238)205-119(153(245)194-104)69-91-74-185-101-38-17-13-33-96(91)101/h2,12-19,32-35,37-40,48-51,73-76,85-88,99,104-129,135,184-187,217-219H,9,11,20-31,36,41-47,52-72,77-84,168-172H2,1,3-8H3,(H2,173,220)(H2,174,228)(H,188,231)(H,189,232)(H,190,221)(H,191,235)(H,192,240)(H,193,233)(H,194,245)(H,195,242)(H,196,249)(H,197,250)(H,198,251)(H,199,252)(H,200,234)(H,201,253)(H,202,241)(H,203,230)(H,204,237)(H,205,238)(H,206,236)(H,207,243)(H,208,254)(H,209,247)(H,210,229)(H,211,239)(H,212,244)(H,213,246)(H,214,255)(H,215,256)(H,216,248)(H,222,223)(H,224,225)(H,226,227)(H4,175,176,181)(H4,177,178,182)(H4,179,180,183)/t87-,88+,99-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450604 (CHEMBL4163942) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C165H244N48O40S6/c1-9-11-38-102-142(233)203-119(72-93-76-184-101-41-20-17-37-97(93)101)154(245)213-133(88(8)215)162(253)212-127-84-259-255-80-123-156(247)194-106(45-24-28-62-169)143(234)201-115(67-86(5)6)149(240)204-118(71-92-75-183-100-40-19-16-36-96(92)100)152(243)210-124(157(248)195-108(47-30-64-180-164(175)176)141(232)188-103(42-21-25-59-166)140(231)197-112(55-58-131(221)222)147(238)199-113(134(172)225)68-89-33-13-12-14-34-89)81-256-254-79-122(207-135(226)87(7)186-138(229)107(46-29-63-179-163(173)174)190-139(230)104(43-22-26-60-167)193-155(246)121(78-214)206-153(244)120(73-132(223)224)205-160(127)251)161(252)211-126(158(249)196-110(54-57-130(219)220)137(228)185-77-129(218)187-114(66-85(3)4)148(239)192-109(145(236)208-123)48-31-65-181-165(177)178)83-258-257-82-125(209-150(241)116(200-136(227)98(170)32-10-2)69-90-49-51-94(216)52-50-90)159(250)198-111(53-56-128(171)217)146(237)189-105(44-23-27-61-168)144(235)202-117(151(242)191-102)70-91-74-182-99-39-18-15-35-95(91)99/h2,12-20,33-37,39-41,49-52,74-76,85-88,98,102-127,133,182-184,214-216H,9,11,21-32,38,42-48,53-73,77-84,166-170H2,1,3-8H3,(H2,171,217)(H2,172,225)(H,185,228)(H,186,229)(H,187,218)(H,188,232)(H,189,237)(H,190,230)(H,191,242)(H,192,239)(H,193,246)(H,194,247)(H,195,248)(H,196,249)(H,197,231)(H,198,250)(H,199,238)(H,200,227)(H,201,234)(H,202,235)(H,203,233)(H,204,240)(H,205,251)(H,206,244)(H,207,226)(H,208,236)(H,209,241)(H,210,243)(H,211,252)(H,212,253)(H,213,245)(H,219,220)(H,221,222)(H,223,224)(H4,173,174,179)(H4,175,176,180)(H4,177,178,181)/t87-,88+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450580 (CHEMBL4169884) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C162H245BrN48O40S6/c1-11-14-33-99-139(231)200-115(66-88-71-181-97-35-18-16-32-93(88)97)151(243)211-130(85(10)213)159(251)209-123-80-257-253-76-119-153(245)192-103(39-22-26-58-167)140(232)198-111(63-82(6)7)146(238)201-114(67-89-72-182-98-48-45-90(163)68-94(89)98)149(241)207-120(154(246)193-105(41-28-60-178-161(173)174)138(230)186-100(36-19-23-55-164)137(229)195-109(51-54-127(219)220)144(236)210-129(131(170)223)83(8)13-3)77-254-252-75-118(204-132(224)84(9)184-135(227)104(40-27-59-177-160(171)172)188-136(228)101(37-20-24-56-165)191-152(244)117(74-212)203-150(242)116(69-128(221)222)202-157(123)249)158(250)208-122(155(247)194-107(50-53-126(217)218)134(226)183-73-125(216)185-110(62-81(4)5)145(237)190-106(142(234)205-119)42-29-61-179-162(175)176)79-256-255-78-121(206-147(239)112(197-133(225)95(168)30-12-2)64-86-43-46-91(214)47-44-86)156(248)196-108(49-52-124(169)215)143(235)187-102(38-21-25-57-166)141(233)199-113(148(240)189-99)65-87-70-180-96-34-17-15-31-92(87)96/h2,15-18,31-32,34-35,43-48,68,70-72,81-85,95,99-123,129-130,180-182,212-214H,11,13-14,19-30,33,36-42,49-67,69,73-80,164-168H2,1,3-10H3,(H2,169,215)(H2,170,223)(H,183,226)(H,184,227)(H,185,216)(H,186,230)(H,187,235)(H,188,228)(H,189,240)(H,190,237)(H,191,244)(H,192,245)(H,193,246)(H,194,247)(H,195,229)(H,196,248)(H,197,225)(H,198,232)(H,199,233)(H,200,231)(H,201,238)(H,202,249)(H,203,242)(H,204,224)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,236)(H,211,243)(H,217,218)(H,219,220)(H,221,222)(H4,171,172,177)(H4,173,174,178)(H4,175,176,179)/t83-,84-,85+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450584 (CHEMBL4173743) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C158H243BrN48O41S6/c1-11-14-33-95-136(229)196-110(63-84-68-177-92-35-18-16-32-88(84)92)147(240)207-126(82(10)209)155(248)205-118-77-254-251-73-114-149(242)189-99(39-22-26-56-163)137(230)194-107(61-79(6)7)143(236)197-109(64-85-69-178-93-45-43-86(159)65-89(85)93)145(238)203-116(150(243)190-101(41-28-58-174-157(169)170)135(228)183-96(36-19-23-53-160)134(227)192-105(48-52-123(216)217)141(234)206-125(127(166)220)80(8)13-3)75-252-249-72-113(200-128(221)81(9)180-131(224)100(40-27-57-173-156(167)168)185-133(226)97(37-20-24-54-161)188-148(241)112(71-208)199-146(239)111(66-124(218)219)198-153(118)246)154(247)204-117(151(244)191-103(47-51-122(214)215)130(223)179-70-120(211)181-106(60-78(4)5)142(235)187-102(139(232)202-114)42-29-59-175-158(171)172)76-253-250-74-115(201-132(225)94(30-12-2)182-129(222)90(164)44-50-121(212)213)152(245)193-104(46-49-119(165)210)140(233)184-98(38-21-25-55-162)138(231)195-108(144(237)186-95)62-83-67-176-91-34-17-15-31-87(83)91/h2,15-18,31-32,34-35,43,45,65,67-69,78-82,90,94-118,125-126,176-178,208-209H,11,13-14,19-30,33,36-42,44,46-64,66,70-77,160-164H2,1,3-10H3,(H2,165,210)(H2,166,220)(H,179,223)(H,180,224)(H,181,211)(H,182,222)(H,183,228)(H,184,233)(H,185,226)(H,186,237)(H,187,235)(H,188,241)(H,189,242)(H,190,243)(H,191,244)(H,192,227)(H,193,245)(H,194,230)(H,195,231)(H,196,229)(H,197,236)(H,198,246)(H,199,239)(H,200,221)(H,201,225)(H,202,232)(H,203,238)(H,204,247)(H,205,248)(H,206,234)(H,207,240)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,167,168,173)(H4,169,170,174)(H4,171,172,175)/t80-,81-,82+,90-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,125-,126-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450603 (CHEMBL4159473) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C166H246N48O40S6/c1-9-11-38-104-143(234)204-120(73-94-77-185-102-41-20-17-37-98(94)102)155(246)214-134(89(8)216)163(254)213-128-85-260-256-81-124-157(248)196-108(45-24-28-64-170)144(235)202-116(69-87(5)6)150(241)205-119(72-93-76-184-101-40-19-16-36-97(93)101)153(244)211-125(158(249)197-110(47-30-66-181-165(176)177)142(233)190-105(42-21-25-61-167)141(232)199-114(57-60-132(222)223)147(238)189-103(135(173)226)54-51-90-33-13-12-14-34-90)82-257-255-80-123(208-136(227)88(7)187-139(230)109(46-29-65-180-164(174)175)192-140(231)106(43-22-26-62-168)195-156(247)122(79-215)207-154(245)121(74-133(224)225)206-161(128)252)162(253)212-127(159(250)198-112(56-59-131(220)221)138(229)186-78-130(219)188-115(68-86(3)4)149(240)194-111(146(237)209-124)48-31-67-182-166(178)179)84-259-258-83-126(210-151(242)117(201-137(228)99(171)32-10-2)70-91-49-52-95(217)53-50-91)160(251)200-113(55-58-129(172)218)148(239)191-107(44-23-27-63-169)145(236)203-118(152(243)193-104)71-92-75-183-100-39-18-15-35-96(92)100/h2,12-20,33-37,39-41,49-50,52-53,75-77,86-89,99,103-128,134,183-185,215-217H,9,11,21-32,38,42-48,51,54-74,78-85,167-171H2,1,3-8H3,(H2,172,218)(H2,173,226)(H,186,229)(H,187,230)(H,188,219)(H,189,238)(H,190,233)(H,191,239)(H,192,231)(H,193,243)(H,194,240)(H,195,247)(H,196,248)(H,197,249)(H,198,250)(H,199,232)(H,200,251)(H,201,228)(H,202,235)(H,203,236)(H,204,234)(H,205,241)(H,206,252)(H,207,245)(H,208,227)(H,209,237)(H,210,242)(H,211,244)(H,212,253)(H,213,254)(H,214,246)(H,220,221)(H,222,223)(H,224,225)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t88-,89+,99-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,134-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450606 (CHEMBL4175995) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C164H248N48O40S6/c1-9-12-39-101-141(232)200-116(71-92-75-183-100-42-21-18-38-96(92)100)152(243)211-131(87(8)214)160(251)209-124-83-258-254-79-120-154(245)193-105(46-25-29-63-168)145(236)212-132(89-34-14-13-15-35-89)161(252)202-115(70-91-74-182-99-41-20-17-37-95(91)99)150(241)207-121(155(246)194-107(48-31-65-179-163(174)175)140(231)187-102(43-22-26-60-165)139(230)196-111(56-59-128(220)221)146(237)210-130(133(171)224)85(6)11-3)80-255-253-78-119(204-134(225)86(7)185-137(228)106(47-30-64-178-162(172)173)189-138(229)103(44-23-27-61-166)192-153(244)118(77-213)203-151(242)117(72-129(222)223)201-158(124)249)159(250)208-123(156(247)195-109(55-58-127(218)219)136(227)184-76-126(217)186-112(67-84(4)5)147(238)191-108(143(234)205-120)49-32-66-180-164(176)177)82-257-256-81-122(206-148(239)113(198-135(226)97(169)33-10-2)68-88-50-52-93(215)53-51-88)157(248)197-110(54-57-125(170)216)144(235)188-104(45-24-28-62-167)142(233)199-114(149(240)190-101)69-90-73-181-98-40-19-16-36-94(90)98/h2,16-21,36-38,40-42,50-53,73-75,84-87,89,97,101-124,130-132,181-183,213-215H,9,11-15,22-35,39,43-49,54-72,76-83,165-169H2,1,3-8H3,(H2,170,216)(H2,171,224)(H,184,227)(H,185,228)(H,186,217)(H,187,231)(H,188,235)(H,189,229)(H,190,240)(H,191,238)(H,192,244)(H,193,245)(H,194,246)(H,195,247)(H,196,230)(H,197,248)(H,198,226)(H,199,233)(H,200,232)(H,201,249)(H,202,252)(H,203,242)(H,204,225)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,237)(H,211,243)(H,212,236)(H,218,219)(H,220,221)(H,222,223)(H4,172,173,178)(H4,174,175,179)(H4,176,177,180)/t85-,86-,87+,97-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,130-,131-,132-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450593 (CHEMBL4164272) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C162H246N48O40S6/c1-11-14-36-99-139(230)199-115(69-90-73-181-98-39-20-17-35-94(90)98)151(242)210-130(86(10)212)159(250)208-123-81-256-252-77-119-153(244)191-103(43-24-28-60-166)140(231)197-111(65-83(6)7)146(237)200-114(68-89-72-180-97-38-19-16-34-93(89)97)149(240)206-120(154(245)192-105(45-30-62-177-161(172)173)138(229)185-100(40-21-25-57-163)137(228)194-109(53-56-127(218)219)144(235)209-129(131(169)222)84(8)13-3)78-253-251-76-118(203-132(223)85(9)183-135(226)104(44-29-61-176-160(170)171)187-136(227)101(41-22-26-58-164)190-152(243)117(75-211)202-150(241)116(70-128(220)221)201-157(123)248)158(249)207-122(155(246)193-107(52-55-126(216)217)134(225)182-74-125(215)184-110(64-82(4)5)145(236)189-106(142(233)204-119)46-31-63-178-162(174)175)80-255-254-79-121(205-147(238)112(196-133(224)95(167)32-12-2)66-87-47-49-91(213)50-48-87)156(247)195-108(51-54-124(168)214)143(234)186-102(42-23-27-59-165)141(232)198-113(148(239)188-99)67-88-71-179-96-37-18-15-33-92(88)96/h2,15-20,33-35,37-39,47-50,71-73,82-86,95,99-123,129-130,179-181,211-213H,11,13-14,21-32,36,40-46,51-70,74-81,163-167H2,1,3-10H3,(H2,168,214)(H2,169,222)(H,182,225)(H,183,226)(H,184,215)(H,185,229)(H,186,234)(H,187,227)(H,188,239)(H,189,236)(H,190,243)(H,191,244)(H,192,245)(H,193,246)(H,194,228)(H,195,247)(H,196,224)(H,197,231)(H,198,232)(H,199,230)(H,200,237)(H,201,248)(H,202,241)(H,203,223)(H,204,233)(H,205,238)(H,206,240)(H,207,249)(H,208,250)(H,209,235)(H,210,242)(H,216,217)(H,218,219)(H,220,221)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t84-,85-,86+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450583 (CHEMBL4174312) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C157H238BrN47O43S6/c1-11-14-31-93-134(228)194-108(61-82-66-175-90-33-18-16-30-86(82)90)146(240)205-125(80(10)207)154(248)203-116-75-254-251-71-112-148(242)186-96(36-21-24-54-161)135(229)192-105(59-77(6)7)142(236)195-107(62-83-67-176-91-42-40-84(158)63-87(83)91)144(238)201-114(149(243)187-98(38-26-56-172-156(167)168)133(227)181-94(34-19-22-52-159)132(226)189-103(46-51-122(216)217)140(234)204-124(126(164)220)78(8)13-3)73-252-249-70-111(198-127(221)79(9)178-130(224)97(37-25-55-171-155(165)166)183-139(233)102(45-50-121(214)215)190-147(241)110(69-206)197-145(239)109(64-123(218)219)196-152(116)246)153(247)202-115(150(244)188-100(44-49-120(212)213)129(223)177-68-118(209)179-104(58-76(4)5)141(235)185-99(137(231)200-112)39-27-57-173-157(169)170)74-253-250-72-113(199-131(225)92(28-12-2)180-128(222)88(162)41-48-119(210)211)151(245)191-101(43-47-117(163)208)138(232)182-95(35-20-23-53-160)136(230)193-106(143(237)184-93)60-81-65-174-89-32-17-15-29-85(81)89/h2,15-18,29-30,32-33,40,42,63,65-67,76-80,88,92-116,124-125,174-176,206-207H,11,13-14,19-28,31,34-39,41,43-62,64,68-75,159-162H2,1,3-10H3,(H2,163,208)(H2,164,220)(H,177,223)(H,178,224)(H,179,209)(H,180,222)(H,181,227)(H,182,232)(H,183,233)(H,184,237)(H,185,235)(H,186,242)(H,187,243)(H,188,244)(H,189,226)(H,190,241)(H,191,245)(H,192,229)(H,193,230)(H,194,228)(H,195,236)(H,196,246)(H,197,239)(H,198,221)(H,199,225)(H,200,231)(H,201,238)(H,202,247)(H,203,248)(H,204,234)(H,205,240)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,165,166,171)(H4,167,168,172)(H4,169,170,173)/t78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,124-,125-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450602 (CHEMBL4167379) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C165H250N48O40S6/c1-9-11-38-102-142(233)203-119(72-93-76-184-101-41-20-17-37-97(93)101)154(245)213-133(88(8)215)162(253)212-127-84-259-255-80-123-156(247)194-106(45-24-28-62-169)143(234)201-115(67-86(5)6)149(240)204-118(71-92-75-183-100-40-19-16-36-96(92)100)152(243)210-124(157(248)195-108(47-30-64-180-164(175)176)141(232)188-103(42-21-25-59-166)140(231)197-112(55-58-131(221)222)147(238)199-113(134(172)225)68-89-33-13-12-14-34-89)81-256-254-79-122(207-135(226)87(7)186-138(229)107(46-29-63-179-163(173)174)190-139(230)104(43-22-26-60-167)193-155(246)121(78-214)206-153(244)120(73-132(223)224)205-160(127)251)161(252)211-126(158(249)196-110(54-57-130(219)220)137(228)185-77-129(218)187-114(66-85(3)4)148(239)192-109(145(236)208-123)48-31-65-181-165(177)178)83-258-257-82-125(209-150(241)116(200-136(227)98(170)32-10-2)69-90-49-51-94(216)52-50-90)159(250)198-111(53-56-128(171)217)146(237)189-105(44-23-27-61-168)144(235)202-117(151(242)191-102)70-91-74-182-99-39-18-15-35-95(91)99/h2,15-20,35-37,39-41,49-52,74-76,85-89,98,102-127,133,182-184,214-216H,9,11-14,21-34,38,42-48,53-73,77-84,166-170H2,1,3-8H3,(H2,171,217)(H2,172,225)(H,185,228)(H,186,229)(H,187,218)(H,188,232)(H,189,237)(H,190,230)(H,191,242)(H,192,239)(H,193,246)(H,194,247)(H,195,248)(H,196,249)(H,197,231)(H,198,250)(H,199,238)(H,200,227)(H,201,234)(H,202,235)(H,203,233)(H,204,240)(H,205,251)(H,206,244)(H,207,226)(H,208,236)(H,209,241)(H,210,243)(H,211,252)(H,212,253)(H,213,245)(H,219,220)(H,221,222)(H,223,224)(H4,173,174,179)(H4,175,176,180)(H4,177,178,181)/t87-,88+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450596 (CHEMBL4168880) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C161H247N47O40S6/c1-11-14-38-98-139(229)197-114(71-91-74-179-97-40-21-19-37-94(91)97)150(240)208-129(87(10)210)158(248)206-122-82-254-250-78-118-152(242)189-102(44-25-29-63-165)140(230)196-111(68-84(6)7)146(236)198-113(70-90-73-178-96-39-20-18-36-93(90)96)148(238)204-119(153(243)190-104(46-31-65-176-160(171)172)138(228)184-99(41-22-26-60-162)137(227)193-109(56-59-126(216)217)144(234)207-128(130(168)220)85(8)13-3)79-251-249-77-117(201-131(221)86(9)181-134(224)103(45-30-64-175-159(169)170)186-135(225)101(43-24-28-62-164)188-151(241)116(76-209)200-149(239)115(72-127(218)219)199-156(122)246)157(247)205-121(154(244)191-106(55-58-125(214)215)133(223)180-75-124(213)182-110(67-83(4)5)145(235)187-105(141(231)202-118)47-32-66-177-161(173)174)81-253-252-80-120(203-147(237)112(195-132(222)95(166)33-12-2)69-89-48-51-92(211)52-49-89)155(245)194-108(54-57-123(167)212)143(233)185-100(42-23-27-61-163)136(226)192-107(142(232)183-98)53-50-88-34-16-15-17-35-88/h2,15-21,34-37,39-40,48-49,51-52,73-74,83-87,95,98-122,128-129,178-179,209-211H,11,13-14,22-33,38,41-47,50,53-72,75-82,162-166H2,1,3-10H3,(H2,167,212)(H2,168,220)(H,180,223)(H,181,224)(H,182,213)(H,183,232)(H,184,228)(H,185,233)(H,186,225)(H,187,235)(H,188,241)(H,189,242)(H,190,243)(H,191,244)(H,192,226)(H,193,227)(H,194,245)(H,195,222)(H,196,230)(H,197,229)(H,198,236)(H,199,246)(H,200,239)(H,201,221)(H,202,231)(H,203,237)(H,204,238)(H,205,247)(H,206,248)(H,207,234)(H,208,240)(H,214,215)(H,216,217)(H,218,219)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t85-,86-,87+,95-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50497975 (CHEMBL3319207) Show SMILES O=C(c1nc2ccccc2[nH]1)c1ccc(Oc2nccnc2C2CCOCC2)cc1 Show InChI InChI=1S/C23H20N4O3/c28-21(22-26-18-3-1-2-4-19(18)27-22)16-5-7-17(8-6-16)30-23-20(24-11-12-25-23)15-9-13-29-14-10-15/h1-8,11-12,15H,9-10,13-14H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by...				J Med Chem 57: 6632-41 (2014) Article DOI: 10.1021/jm500713j BindingDB Entry DOI: 10.7270/Q26H4MD0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450581 (CHEMBL4159169) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C155H236BrN47O41S6/c1-12-15-32-93-133(225)192-107(60-82-65-173-90-34-19-17-31-86(82)90)144(236)203-123(80(11)205)152(244)201-115-74-250-247-70-111-146(238)185-96(37-22-25-53-159)134(226)190-104(58-76(6)7)140(232)193-106(61-83-66-174-91-43-41-84(156)62-87(83)91)142(234)199-113(147(239)186-98(39-27-55-170-154(165)166)132(224)181-94(35-20-23-51-157)131(223)188-102(46-50-120(212)213)138(230)202-122(124(162)216)77(8)14-3)72-248-245-69-110(196-126(218)79(10)176-129(221)97(38-26-54-169-153(163)164)179-125(217)78(9)177-145(237)109(68-204)195-143(235)108(63-121(214)215)194-150(115)242)151(243)200-114(148(240)187-100(45-49-119(210)211)128(220)175-67-117(207)178-103(57-75(4)5)139(231)184-99(136(228)198-111)40-28-56-171-155(167)168)73-249-246-71-112(197-130(222)92(29-13-2)180-127(219)88(160)42-48-118(208)209)149(241)189-101(44-47-116(161)206)137(229)182-95(36-21-24-52-158)135(227)191-105(141(233)183-93)59-81-64-172-89-33-18-16-30-85(81)89/h2,16-19,30-31,33-34,41,43,62,64-66,75-80,88,92-115,122-123,172-174,204-205H,12,14-15,20-29,32,35-40,42,44-61,63,67-74,157-160H2,1,3-11H3,(H2,161,206)(H2,162,216)(H,175,220)(H,176,221)(H,177,237)(H,178,207)(H,179,217)(H,180,219)(H,181,224)(H,182,229)(H,183,233)(H,184,231)(H,185,238)(H,186,239)(H,187,240)(H,188,223)(H,189,241)(H,190,226)(H,191,227)(H,192,225)(H,193,232)(H,194,242)(H,195,235)(H,196,218)(H,197,222)(H,198,228)(H,199,234)(H,200,243)(H,201,244)(H,202,230)(H,203,236)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,163,164,169)(H4,165,166,170)(H4,167,168,171)/t77-,78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450612 (CHEMBL4160269) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C156H241BrN48O39S6/c1-12-15-34-94-134(225)194-109(62-84-67-175-91-36-19-17-33-88(84)91)145(236)205-124(82(11)207)153(244)203-117-76-250-247-72-113-147(238)187-98(40-23-27-55-161)135(226)192-106(60-78(6)7)141(232)195-108(63-85-68-176-92-45-44-86(157)64-89(85)92)143(234)201-115(148(239)188-100(42-29-57-172-155(167)168)133(224)181-95(37-20-24-52-158)132(223)190-104(48-51-121(212)213)139(230)204-123(125(164)216)79(8)14-3)74-248-245-71-112(198-127(218)81(10)178-129(220)99(41-28-56-171-154(165)166)183-131(222)96(38-21-25-53-159)186-146(237)111(70-206)197-144(235)110(65-122(214)215)196-151(117)242)152(243)202-116(149(240)189-102(47-50-120(210)211)128(219)177-69-119(209)179-105(59-77(4)5)140(231)185-101(137(228)200-113)43-30-58-173-156(169)170)75-249-246-73-114(199-130(221)93(31-13-2)180-126(217)80(9)162)150(241)191-103(46-49-118(163)208)138(229)182-97(39-22-26-54-160)136(227)193-107(142(233)184-94)61-83-66-174-90-35-18-16-32-87(83)90/h2,16-19,32-33,35-36,44-45,64,66-68,77-82,93-117,123-124,174-176,206-207H,12,14-15,20-31,34,37-43,46-63,65,69-76,158-162H2,1,3-11H3,(H2,163,208)(H2,164,216)(H,177,219)(H,178,220)(H,179,209)(H,180,217)(H,181,224)(H,182,229)(H,183,222)(H,184,233)(H,185,231)(H,186,237)(H,187,238)(H,188,239)(H,189,240)(H,190,223)(H,191,241)(H,192,226)(H,193,227)(H,194,225)(H,195,232)(H,196,242)(H,197,235)(H,198,218)(H,199,221)(H,200,228)(H,201,234)(H,202,243)(H,203,244)(H,204,230)(H,205,236)(H,210,211)(H,212,213)(H,214,215)(H4,165,166,171)(H4,167,168,172)(H4,169,170,173)/t79-,80-,81-,82+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,123-,124-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450615 (CHEMBL4167376) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C161H246BrN47O40S6/c1-11-14-35-98-139(230)198-114(68-89-72-179-96-36-19-18-34-93(89)96)150(241)209-129(86(10)211)158(249)207-122-81-255-251-77-118-152(243)190-102(40-23-27-61-166)140(231)197-111(66-83(6)7)146(237)199-113(69-90-73-180-97-51-47-91(162)70-94(90)97)148(239)205-119(153(244)191-104(42-29-63-177-160(172)173)138(229)185-99(37-20-24-58-163)137(228)194-109(54-57-126(217)218)144(235)208-128(130(169)221)84(8)13-3)78-252-250-76-117(202-131(222)85(9)182-134(225)103(41-28-62-176-159(170)171)187-135(226)101(39-22-26-60-165)189-151(242)116(75-210)201-149(240)115(71-127(219)220)200-156(122)247)157(248)206-121(154(245)192-106(53-56-125(215)216)133(224)181-74-124(214)183-110(65-82(4)5)145(236)188-105(141(232)203-118)43-30-64-178-161(174)175)80-254-253-79-120(204-147(238)112(196-132(223)95(167)31-12-2)67-88-44-48-92(212)49-45-88)155(246)195-108(52-55-123(168)213)143(234)186-100(38-21-25-59-164)136(227)193-107(142(233)184-98)50-46-87-32-16-15-17-33-87/h2,15-19,32-34,36,44-45,47-49,51,70,72-73,82-86,95,98-122,128-129,179-180,210-212H,11,13-14,20-31,35,37-43,46,50,52-69,71,74-81,163-167H2,1,3-10H3,(H2,168,213)(H2,169,221)(H,181,224)(H,182,225)(H,183,214)(H,184,233)(H,185,229)(H,186,234)(H,187,226)(H,188,236)(H,189,242)(H,190,243)(H,191,244)(H,192,245)(H,193,227)(H,194,228)(H,195,246)(H,196,223)(H,197,231)(H,198,230)(H,199,237)(H,200,247)(H,201,240)(H,202,222)(H,203,232)(H,204,238)(H,205,239)(H,206,248)(H,207,249)(H,208,235)(H,209,241)(H,215,216)(H,217,218)(H,219,220)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t84-,85-,86+,95-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450585 (CHEMBL4166895) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C165H243BrN48O40S6/c1-9-11-35-102-142(234)204-119(69-91-74-184-100-37-18-16-34-96(91)100)154(246)214-133(87(8)216)162(254)213-127-83-260-256-79-123-156(248)195-106(41-22-26-60-170)143(235)202-115(65-85(5)6)149(241)205-118(70-92-75-185-101-50-47-93(166)71-97(92)101)152(244)211-124(157(249)196-108(43-28-62-181-164(176)177)141(233)189-103(38-19-23-57-167)140(232)198-112(53-56-131(222)223)147(239)200-113(134(173)226)66-88-31-13-12-14-32-88)80-257-255-78-122(208-135(227)86(7)187-138(230)107(42-27-61-180-163(174)175)191-139(231)104(39-20-24-58-168)194-155(247)121(77-215)207-153(245)120(72-132(224)225)206-160(127)252)161(253)212-126(158(250)197-110(52-55-130(220)221)137(229)186-76-129(219)188-114(64-84(3)4)148(240)193-109(145(237)209-123)44-29-63-182-165(178)179)82-259-258-81-125(210-150(242)116(201-136(228)98(171)30-10-2)67-89-45-48-94(217)49-46-89)159(251)199-111(51-54-128(172)218)146(238)190-105(40-21-25-59-169)144(236)203-117(151(243)192-102)68-90-73-183-99-36-17-15-33-95(90)99/h2,12-18,31-34,36-37,45-50,71,73-75,84-87,98,102-127,133,183-185,215-217H,9,11,19-30,35,38-44,51-70,72,76-83,167-171H2,1,3-8H3,(H2,172,218)(H2,173,226)(H,186,229)(H,187,230)(H,188,219)(H,189,233)(H,190,238)(H,191,231)(H,192,243)(H,193,240)(H,194,247)(H,195,248)(H,196,249)(H,197,250)(H,198,232)(H,199,251)(H,200,239)(H,201,228)(H,202,235)(H,203,236)(H,204,234)(H,205,241)(H,206,252)(H,207,245)(H,208,227)(H,209,237)(H,210,242)(H,211,244)(H,212,253)(H,213,254)(H,214,246)(H,220,221)(H,222,223)(H,224,225)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t86-,87+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450616 (CHEMBL4175563) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C166H245BrN48O40S6/c1-9-11-35-104-143(235)205-120(70-92-75-185-101-37-18-16-34-97(92)101)155(247)215-134(88(8)217)163(255)214-128-84-261-257-80-124-157(249)197-108(41-22-26-62-171)144(236)203-116(67-86(5)6)150(242)206-119(71-93-76-186-102-52-48-94(167)72-98(93)102)153(245)212-125(158(250)198-110(43-28-64-182-165(177)178)142(234)191-105(38-19-23-59-168)141(233)200-114(55-58-132(223)224)147(239)190-103(135(174)227)51-47-89-31-13-12-14-32-89)81-258-256-79-123(209-136(228)87(7)188-139(231)109(42-27-63-181-164(175)176)193-140(232)106(39-20-24-60-169)196-156(248)122(78-216)208-154(246)121(73-133(225)226)207-161(128)253)162(254)213-127(159(251)199-112(54-57-131(221)222)138(230)187-77-130(220)189-115(66-85(3)4)149(241)195-111(146(238)210-124)44-29-65-183-166(179)180)83-260-259-82-126(211-151(243)117(202-137(229)99(172)30-10-2)68-90-45-49-95(218)50-46-90)160(252)201-113(53-56-129(173)219)148(240)192-107(40-21-25-61-170)145(237)204-118(152(244)194-104)69-91-74-184-100-36-17-15-33-96(91)100/h2,12-18,31-34,36-37,45-46,48-50,52,72,74-76,85-88,99,103-128,134,184-186,216-218H,9,11,19-30,35,38-44,47,51,53-71,73,77-84,168-172H2,1,3-8H3,(H2,173,219)(H2,174,227)(H,187,230)(H,188,231)(H,189,220)(H,190,239)(H,191,234)(H,192,240)(H,193,232)(H,194,244)(H,195,241)(H,196,248)(H,197,249)(H,198,250)(H,199,251)(H,200,233)(H,201,252)(H,202,229)(H,203,236)(H,204,237)(H,205,235)(H,206,242)(H,207,253)(H,208,246)(H,209,228)(H,210,238)(H,211,243)(H,212,245)(H,213,254)(H,214,255)(H,215,247)(H,221,222)(H,223,224)(H,225,226)(H4,175,176,181)(H4,177,178,182)(H4,179,180,183)/t87-,88+,99-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,134-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450608 (CHEMBL4175589) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C162H246N48O40S6/c1-11-15-37-99-139(230)198-114(69-90-73-181-98-40-21-18-36-94(90)98)150(241)210-130(86(10)212)159(250)207-122-81-256-252-77-118-152(243)191-103(44-25-29-61-166)143(234)209-129(84(8)14-4)158(249)200-113(68-89-72-180-97-39-20-17-35-93(89)97)148(239)205-119(153(244)192-105(46-31-63-177-161(172)173)138(229)185-100(41-22-26-58-163)137(228)194-109(54-57-126(218)219)144(235)208-128(131(169)222)83(7)13-3)78-253-251-76-117(202-132(223)85(9)183-135(226)104(45-30-62-176-160(170)171)187-136(227)101(42-23-27-59-164)190-151(242)116(75-211)201-149(240)115(70-127(220)221)199-156(122)247)157(248)206-121(154(245)193-107(53-56-125(216)217)134(225)182-74-124(215)184-110(65-82(5)6)145(236)189-106(141(232)203-118)47-32-64-178-162(174)175)80-255-254-79-120(204-146(237)111(196-133(224)95(167)33-12-2)66-87-48-50-91(213)51-49-87)155(246)195-108(52-55-123(168)214)142(233)186-102(43-24-28-60-165)140(231)197-112(147(238)188-99)67-88-71-179-96-38-19-16-34-92(88)96/h2,16-21,34-36,38-40,48-51,71-73,82-86,95,99-122,128-130,179-181,211-213H,11,13-15,22-33,37,41-47,52-70,74-81,163-167H2,1,3-10H3,(H2,168,214)(H2,169,222)(H,182,225)(H,183,226)(H,184,215)(H,185,229)(H,186,233)(H,187,227)(H,188,238)(H,189,236)(H,190,242)(H,191,243)(H,192,244)(H,193,245)(H,194,228)(H,195,246)(H,196,224)(H,197,231)(H,198,230)(H,199,247)(H,200,249)(H,201,240)(H,202,223)(H,203,232)(H,204,237)(H,205,239)(H,206,248)(H,207,250)(H,208,235)(H,209,234)(H,210,241)(H,216,217)(H,218,219)(H,220,221)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t83-,84-,85-,86+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-,130-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450597 (CHEMBL4160943) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C160H245N47O40S6/c1-11-14-38-97-137(227)196-113(70-90-73-178-96-40-21-19-37-93(90)96)149(239)207-128(86(10)209)157(247)205-121-81-253-249-77-117-151(241)188-101(44-25-29-61-164)138(228)194-109(66-83(6)7)144(234)197-112(69-89-72-177-95-39-20-18-36-92(89)95)147(237)203-118(152(242)189-103(46-31-63-175-159(170)171)136(226)182-98(41-22-26-58-161)135(225)191-107(54-57-125(215)216)142(232)206-127(129(167)219)84(8)13-3)78-250-248-76-116(200-130(220)85(9)180-133(223)102(45-30-62-174-158(168)169)184-134(224)99(42-23-27-59-162)187-150(240)115(75-208)199-148(238)114(71-126(217)218)198-155(121)245)156(246)204-120(153(243)190-105(53-56-124(213)214)132(222)179-74-123(212)181-108(65-82(4)5)143(233)186-104(140(230)201-117)47-32-64-176-160(172)173)80-252-251-79-119(202-146(236)110(193-131(221)94(165)33-12-2)68-88-48-50-91(210)51-49-88)154(244)192-106(52-55-122(166)211)141(231)183-100(43-24-28-60-163)139(229)195-111(145(235)185-97)67-87-34-16-15-17-35-87/h2,15-21,34-37,39-40,48-51,72-73,82-86,94,97-121,127-128,177-178,208-210H,11,13-14,22-33,38,41-47,52-71,74-81,161-165H2,1,3-10H3,(H2,166,211)(H2,167,219)(H,179,222)(H,180,223)(H,181,212)(H,182,226)(H,183,231)(H,184,224)(H,185,235)(H,186,233)(H,187,240)(H,188,241)(H,189,242)(H,190,243)(H,191,225)(H,192,244)(H,193,221)(H,194,228)(H,195,229)(H,196,227)(H,197,234)(H,198,245)(H,199,238)(H,200,220)(H,201,230)(H,202,236)(H,203,237)(H,204,246)(H,205,247)(H,206,232)(H,207,239)(H,213,214)(H,215,216)(H,217,218)(H4,168,169,174)(H4,170,171,175)(H4,172,173,176)/t84-,85-,86+,94-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,127-,128-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450591 (CHEMBL4167083) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C160H245BrN48O43S6/c1-10-13-32-95-137(232)198-111(64-84-69-179-92-34-17-15-31-88(84)92)149(244)209-128(82(9)211)157(252)207-119-78-258-254-73-114-151(246)190-99(38-21-25-57-165)138(233)196-108(62-80(6)7)145(240)199-110(65-85-70-180-93-44-42-86(161)66-89(85)93)147(242)205-116(152(247)191-101(40-27-59-176-159(171)172)135(230)184-96(35-18-22-54-162)134(229)194-106(48-53-125(220)221)143(238)208-127(129(168)224)81(8)12-3)75-255-257-77-118(204-142(237)105(47-52-124(218)219)193-136(231)100(39-26-58-175-158(169)170)186-133(228)97(36-19-23-55-163)189-150(245)113(72-210)201-148(243)112(67-126(222)223)200-155(119)250)156(251)206-117(153(248)192-103(46-51-123(216)217)131(226)181-71-121(213)182-107(61-79(4)5)144(239)188-102(140(235)203-114)41-28-60-177-160(173)174)76-256-253-74-115(202-132(227)94(29-11-2)183-130(225)90(166)43-50-122(214)215)154(249)195-104(45-49-120(167)212)141(236)185-98(37-20-24-56-164)139(234)197-109(146(241)187-95)63-83-68-178-91-33-16-14-30-87(83)91/h2,14-17,30-31,33-34,42,44,66,68-70,79-82,90,94-119,127-128,178-180,210-211H,10,12-13,18-29,32,35-41,43,45-65,67,71-78,162-166H2,1,3-9H3,(H2,167,212)(H2,168,224)(H,181,226)(H,182,213)(H,183,225)(H,184,230)(H,185,236)(H,186,228)(H,187,241)(H,188,239)(H,189,245)(H,190,246)(H,191,247)(H,192,248)(H,193,231)(H,194,229)(H,195,249)(H,196,233)(H,197,234)(H,198,232)(H,199,240)(H,200,250)(H,201,243)(H,202,227)(H,203,235)(H,204,237)(H,205,242)(H,206,251)(H,207,252)(H,208,238)(H,209,244)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t81-,82+,90-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,127-,128-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450605 (CHEMBL4174592) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C165H250N48O40S6/c1-9-12-39-102-142(233)202-118(72-93-76-184-101-42-21-18-38-97(93)101)154(245)213-133(88(8)215)162(253)211-126-84-259-255-80-122-156(247)194-106(46-25-29-63-169)143(234)200-115(68-89-34-14-13-15-35-89)149(240)203-117(71-92-75-183-100-41-20-17-37-96(92)100)152(243)209-123(157(248)195-108(48-31-65-180-164(175)176)141(232)188-103(43-22-26-60-166)140(231)197-112(56-59-130(221)222)147(238)212-132(134(172)225)86(6)11-3)81-256-254-79-121(206-135(226)87(7)186-138(229)107(47-30-64-179-163(173)174)190-139(230)104(44-23-27-61-167)193-155(246)120(78-214)205-153(244)119(73-131(223)224)204-160(126)251)161(252)210-125(158(249)196-110(55-58-129(219)220)137(228)185-77-128(218)187-113(67-85(4)5)148(239)192-109(145(236)207-122)49-32-66-181-165(177)178)83-258-257-82-124(208-150(241)114(199-136(227)98(170)33-10-2)69-90-50-52-94(216)53-51-90)159(250)198-111(54-57-127(171)217)146(237)189-105(45-24-28-62-168)144(235)201-116(151(242)191-102)70-91-74-182-99-40-19-16-36-95(91)99/h2,16-21,36-38,40-42,50-53,74-76,85-89,98,102-126,132-133,182-184,214-216H,9,11-15,22-35,39,43-49,54-73,77-84,166-170H2,1,3-8H3,(H2,171,217)(H2,172,225)(H,185,228)(H,186,229)(H,187,218)(H,188,232)(H,189,237)(H,190,230)(H,191,242)(H,192,239)(H,193,246)(H,194,247)(H,195,248)(H,196,249)(H,197,231)(H,198,250)(H,199,227)(H,200,234)(H,201,235)(H,202,233)(H,203,240)(H,204,251)(H,205,244)(H,206,226)(H,207,236)(H,208,241)(H,209,243)(H,210,252)(H,211,253)(H,212,238)(H,213,245)(H,219,220)(H,221,222)(H,223,224)(H4,173,174,179)(H4,175,176,180)(H4,177,178,181)/t86-,87-,88+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,132-,133-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450582 (CHEMBL4167720) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C)[C@@H](C)O |r| Show InChI InChI=1S/C162H246N48O40S6/c1-10-14-37-99-140(231)199-114(69-89-73-180-97-40-20-17-35-93(89)97)149(240)206-120(154(245)193-106(47-31-64-177-161(172)173)139(230)186-101(42-22-26-59-163)138(229)195-110(55-58-127(218)219)145(236)209-129(131(169)222)84(7)13-4)79-253-251-77-118-158(249)207-122-81-255-254-80-121(205-147(238)112(197-133(224)95(167)33-12-3)67-87-49-51-91(213)52-50-87)156(247)196-109(53-56-124(168)214)144(235)187-104(45-25-29-62-166)142(233)198-113(68-88-72-179-96-39-19-16-34-92(88)96)148(239)189-100(38-15-11-2)141(232)200-115(70-90-74-181-98-41-21-18-36-94(90)98)151(242)210-130(86(9)212)159(250)208-123(157(248)201-116(71-128(220)221)150(241)202-117(76-211)152(243)191-102(43-23-27-60-164)136(227)188-105(46-30-63-176-160(170)171)135(226)183-85(8)132(223)203-118)82-256-252-78-119(153(244)192-103(137(228)185-99)44-24-28-61-165)204-143(234)107(48-32-65-178-162(174)175)190-146(237)111(66-83(5)6)184-125(215)75-182-134(225)108(194-155(122)246)54-57-126(216)217/h3,16-21,34-36,39-41,49-52,72-74,83-86,95,99-123,129-130,179-181,211-213H,10-11,13-15,22-33,37-38,42-48,53-71,75-82,163-167H2,1-2,4-9H3,(H2,168,214)(H2,169,222)(H,182,225)(H,183,226)(H,184,215)(H,185,228)(H,186,230)(H,187,235)(H,188,227)(H,189,239)(H,190,237)(H,191,243)(H,192,244)(H,193,245)(H,194,246)(H,195,229)(H,196,247)(H,197,224)(H,198,233)(H,199,231)(H,200,232)(H,201,248)(H,202,241)(H,203,223)(H,204,234)(H,205,238)(H,206,240)(H,207,249)(H,208,250)(H,209,236)(H,210,242)(H,216,217)(H,218,219)(H,220,221)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t84-,85-,86+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450590 (CHEMBL4163637) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C160H245BrN48O42S6/c1-11-14-33-96-138(232)199-112(65-85-70-179-93-35-18-16-32-89(85)93)150(244)209-128(83(10)210)157(251)207-119-78-257-254-74-115-151(245)191-100(39-22-26-58-165)139(233)197-109(63-80(6)7)146(240)200-111(66-86-71-180-94-45-43-87(161)67-90(86)94)148(242)205-117(152(246)192-102(41-28-60-176-159(171)172)137(231)185-98(37-20-24-56-163)136(230)194-107(49-54-125(219)220)144(238)208-127(129(168)223)81(8)13-3)76-255-252-73-114(202-130(224)82(9)182-133(227)101(40-27-59-175-158(169)170)188-135(229)97(36-19-23-55-162)186-143(237)106(48-53-124(217)218)195-149(243)113(68-126(221)222)201-155(119)249)156(250)206-118(153(247)193-104(47-52-123(215)216)132(226)181-72-121(212)183-108(62-79(4)5)145(239)190-103(141(235)204-115)42-29-61-177-160(173)174)77-256-253-75-116(203-134(228)95(30-12-2)184-131(225)91(166)44-51-122(213)214)154(248)196-105(46-50-120(167)211)142(236)187-99(38-21-25-57-164)140(234)198-110(147(241)189-96)64-84-69-178-92-34-17-15-31-88(84)92/h2,15-18,31-32,34-35,43,45,67,69-71,79-83,91,95-119,127-128,178-180,210H,11,13-14,19-30,33,36-42,44,46-66,68,72-78,162-166H2,1,3-10H3,(H2,167,211)(H2,168,223)(H,181,226)(H,182,227)(H,183,212)(H,184,225)(H,185,231)(H,186,237)(H,187,236)(H,188,229)(H,189,241)(H,190,239)(H,191,245)(H,192,246)(H,193,247)(H,194,230)(H,195,243)(H,196,248)(H,197,233)(H,198,234)(H,199,232)(H,200,240)(H,201,249)(H,202,224)(H,203,228)(H,204,235)(H,205,242)(H,206,250)(H,207,251)(H,208,238)(H,209,244)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t81-,82-,83+,91-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,127-,128-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217933 (US9212182, 674) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H16F3N3O5S/c1-35-23-12-17(14-2-5-18(26)20(28)11-14)19(27)13-22(23)31-21-6-4-16(10-15(21)3-7-25(31)32)37(33,34)30-24-8-9-36-29-24/h2-13H,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450607 (CHEMBL4165380) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C161H244N48O40S6/c1-10-14-37-99-140(231)199-114(69-89-73-180-97-40-20-17-36-93(89)97)150(241)209-129(85(9)211)158(249)207-122-81-255-251-77-118-152(243)191-102(43-23-27-60-164)136(227)184-98(33-12-3)135(226)197-113(68-88-72-179-96-39-19-16-35-92(88)96)148(239)205-119(153(244)192-105(46-30-63-176-160(171)172)139(230)185-100(41-21-25-58-162)138(229)194-109(54-57-126(217)218)144(235)208-128(130(168)221)83(7)13-4)78-252-250-76-117(202-131(222)84(8)182-134(225)104(45-29-62-175-159(169)170)187-137(228)101(42-22-26-59-163)190-151(242)116(75-210)201-149(240)115(70-127(219)220)200-156(122)247)157(248)206-121(154(245)193-107(53-56-125(215)216)133(224)181-74-124(214)183-110(65-82(5)6)145(236)189-106(142(233)203-118)47-31-64-177-161(173)174)80-254-253-79-120(204-146(237)111(196-132(223)94(166)32-11-2)66-86-48-50-90(212)51-49-86)155(246)195-108(52-55-123(167)213)143(234)186-103(44-24-28-61-165)141(232)198-112(147(238)188-99)67-87-71-178-95-38-18-15-34-91(87)95/h2,15-20,34-36,38-40,48-51,71-73,82-85,94,98-122,128-129,178-180,210-212H,10,12-14,21-33,37,41-47,52-70,74-81,162-166H2,1,3-9H3,(H2,167,213)(H2,168,221)(H,181,224)(H,182,225)(H,183,214)(H,184,227)(H,185,230)(H,186,234)(H,187,228)(H,188,238)(H,189,236)(H,190,242)(H,191,243)(H,192,244)(H,193,245)(H,194,229)(H,195,246)(H,196,223)(H,197,226)(H,198,232)(H,199,231)(H,200,247)(H,201,240)(H,202,222)(H,203,233)(H,204,237)(H,205,239)(H,206,248)(H,207,249)(H,208,235)(H,209,241)(H,215,216)(H,217,218)(H,219,220)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t83-,84-,85+,94-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450609 (CHEMBL4170712) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Cl)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C162H245ClN48O40S6/c1-11-14-33-99-139(231)200-115(66-88-71-181-97-35-18-16-32-93(88)97)151(243)211-130(85(10)213)159(251)209-123-80-257-253-76-119-153(245)192-103(39-22-26-58-167)140(232)198-111(63-82(6)7)146(238)201-114(67-89-72-182-98-48-45-90(163)68-94(89)98)149(241)207-120(154(246)193-105(41-28-60-178-161(173)174)138(230)186-100(36-19-23-55-164)137(229)195-109(51-54-127(219)220)144(236)210-129(131(170)223)83(8)13-3)77-254-252-75-118(204-132(224)84(9)184-135(227)104(40-27-59-177-160(171)172)188-136(228)101(37-20-24-56-165)191-152(244)117(74-212)203-150(242)116(69-128(221)222)202-157(123)249)158(250)208-122(155(247)194-107(50-53-126(217)218)134(226)183-73-125(216)185-110(62-81(4)5)145(237)190-106(142(234)205-119)42-29-61-179-162(175)176)79-256-255-78-121(206-147(239)112(197-133(225)95(168)30-12-2)64-86-43-46-91(214)47-44-86)156(248)196-108(49-52-124(169)215)143(235)187-102(38-21-25-57-166)141(233)199-113(148(240)189-99)65-87-70-180-96-34-17-15-31-92(87)96/h2,15-18,31-32,34-35,43-48,68,70-72,81-85,95,99-123,129-130,180-182,212-214H,11,13-14,19-30,33,36-42,49-67,69,73-80,164-168H2,1,3-10H3,(H2,169,215)(H2,170,223)(H,183,226)(H,184,227)(H,185,216)(H,186,230)(H,187,235)(H,188,228)(H,189,240)(H,190,237)(H,191,244)(H,192,245)(H,193,246)(H,194,247)(H,195,229)(H,196,248)(H,197,225)(H,198,232)(H,199,233)(H,200,231)(H,201,238)(H,202,249)(H,203,242)(H,204,224)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,236)(H,211,243)(H,217,218)(H,219,220)(H,221,222)(H4,171,172,177)(H4,173,174,178)(H4,175,176,179)/t83-,84-,85+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50494199 (CHEMBL3086091) Show SMILES O=C(c1nc2ccccc2[nH]1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 Show InChI InChI=1S/C22H19N5O3/c28-19(20-25-17-3-1-2-4-18(17)26-20)15-5-7-16(8-6-15)30-22-21(23-9-10-24-22)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by...				J Med Chem 57: 6632-41 (2014) Article DOI: 10.1021/jm500713j BindingDB Entry DOI: 10.7270/Q26H4MD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217798 (US9212182, 1053) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(ccc1C)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-9.24,;,-12.32,;-1.33,-13.09,;.77,-13.65,;-.77,-10.99,)| Show InChI InChI=1S/C27H20F3N3O5S/c1-16-3-6-19(27(28,29)30)15-21(16)17-4-8-23(24(14-17)37-2)33-22-9-7-20(13-18(22)5-10-26(33)34)39(35,36)32-25-11-12-38-31-25/h3-15H,1-2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50494193 (CHEMBL3086099) Show SMILES CC(=O)N1CCN(CC1)c1nccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C24H22N6O3/c1-16(31)29-12-14-30(15-13-29)23-24(26-11-10-25-23)33-18-8-6-17(7-9-18)21(32)22-27-19-4-2-3-5-20(19)28-22/h2-11H,12-15H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by...				J Med Chem 57: 6632-41 (2014) Article DOI: 10.1021/jm500713j BindingDB Entry DOI: 10.7270/Q26H4MD0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50450581 (CHEMBL4159169) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C155H236BrN47O41S6/c1-12-15-32-93-133(225)192-107(60-82-65-173-90-34-19-17-31-86(82)90)144(236)203-123(80(11)205)152(244)201-115-74-250-247-70-111-146(238)185-96(37-22-25-53-159)134(226)190-104(58-76(6)7)140(232)193-106(61-83-66-174-91-43-41-84(156)62-87(83)91)142(234)199-113(147(239)186-98(39-27-55-170-154(165)166)132(224)181-94(35-20-23-51-157)131(223)188-102(46-50-120(212)213)138(230)202-122(124(162)216)77(8)14-3)72-248-245-69-110(196-126(218)79(10)176-129(221)97(38-26-54-169-153(163)164)179-125(217)78(9)177-145(237)109(68-204)195-143(235)108(63-121(214)215)194-150(115)242)151(243)200-114(148(240)187-100(45-49-119(210)211)128(220)175-67-117(207)178-103(57-75(4)5)139(231)184-99(136(228)198-111)40-28-56-171-155(167)168)73-249-246-71-112(197-130(222)92(29-13-2)180-127(219)88(160)42-48-118(208)209)149(241)189-101(44-47-116(161)206)137(229)182-95(36-21-24-52-158)135(227)191-105(141(233)183-93)59-81-64-172-89-33-18-16-30-85(81)89/h2,16-19,30-31,33-34,41,43,62,64-66,75-80,88,92-115,122-123,172-174,204-205H,12,14-15,20-29,32,35-40,42,44-61,63,67-74,157-160H2,1,3-11H3,(H2,161,206)(H2,162,216)(H,175,220)(H,176,221)(H,177,237)(H,178,207)(H,179,217)(H,180,219)(H,181,224)(H,182,229)(H,183,233)(H,184,231)(H,185,238)(H,186,239)(H,187,240)(H,188,223)(H,189,241)(H,190,226)(H,191,227)(H,192,225)(H,193,232)(H,194,242)(H,195,235)(H,196,218)(H,197,222)(H,198,228)(H,199,234)(H,200,243)(H,201,244)(H,202,230)(H,203,236)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,163,164,169)(H4,165,166,170)(H4,167,168,171)/t77-,78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Nav1.7 in C57/BL6 mouse DRG neurons assessed as reduction in TTX sensitive sodium channel-mediated currents by whole cell manual patch ...				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50450581 (CHEMBL4159169) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C155H236BrN47O41S6/c1-12-15-32-93-133(225)192-107(60-82-65-173-90-34-19-17-31-86(82)90)144(236)203-123(80(11)205)152(244)201-115-74-250-247-70-111-146(238)185-96(37-22-25-53-159)134(226)190-104(58-76(6)7)140(232)193-106(61-83-66-174-91-43-41-84(156)62-87(83)91)142(234)199-113(147(239)186-98(39-27-55-170-154(165)166)132(224)181-94(35-20-23-51-157)131(223)188-102(46-50-120(212)213)138(230)202-122(124(162)216)77(8)14-3)72-248-245-69-110(196-126(218)79(10)176-129(221)97(38-26-54-169-153(163)164)179-125(217)78(9)177-145(237)109(68-204)195-143(235)108(63-121(214)215)194-150(115)242)151(243)200-114(148(240)187-100(45-49-119(210)211)128(220)175-67-117(207)178-103(57-75(4)5)139(231)184-99(136(228)198-111)40-28-56-171-155(167)168)73-249-246-71-112(197-130(222)92(29-13-2)180-127(219)88(160)42-48-118(208)209)149(241)189-101(44-47-116(161)206)137(229)182-95(36-21-24-52-158)135(227)191-105(141(233)183-93)59-81-64-172-89-33-18-16-30-85(81)89/h2,16-19,30-31,33-34,41,43,62,64-66,75-80,88,92-115,122-123,172-174,204-205H,12,14-15,20-29,32,35-40,42,44-61,63,67-74,157-160H2,1,3-11H3,(H2,161,206)(H2,162,216)(H,175,220)(H,176,221)(H,177,237)(H,178,207)(H,179,217)(H,180,219)(H,181,224)(H,182,229)(H,183,233)(H,184,231)(H,185,238)(H,186,239)(H,187,240)(H,188,223)(H,189,241)(H,190,226)(H,191,227)(H,192,225)(H,193,232)(H,194,242)(H,195,235)(H,196,218)(H,197,222)(H,198,228)(H,199,234)(H,200,243)(H,201,244)(H,202,230)(H,203,236)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,163,164,169)(H4,165,166,170)(H4,167,168,171)/t77-,78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of mouse Nav1.7 expressed in HEK293 cells after 10 mins by patchxpress-based electrophysiology				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450611 (CHEMBL4170875) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCCCN |r| Show InChI InChI=1S/C159H248BrN49O39S6/c1-11-14-36-97-137(229)198-112(65-86-70-179-94-38-18-16-34-90(86)94)148(240)209-127(84(10)211)156(248)207-120-79-254-251-75-116-150(242)191-101(42-23-28-58-165)138(230)196-109(63-81(6)7)144(236)199-111(66-87-71-180-95-47-46-88(160)67-91(87)95)146(238)205-118(151(243)192-103(44-30-60-176-158(171)172)136(228)185-98(39-20-25-55-162)135(227)194-107(50-53-124(216)217)142(234)208-126(128(168)220)82(8)13-3)77-252-249-74-115(202-129(221)83(9)182-132(224)102(43-29-59-175-157(169)170)187-134(226)99(40-21-26-56-163)190-149(241)114(73-210)201-147(239)113(68-125(218)219)200-154(120)246)155(247)206-119(152(244)193-105(49-52-123(214)215)131(223)181-72-122(213)183-108(62-80(4)5)143(235)189-104(140(232)204-116)45-31-61-177-159(173)174)78-253-250-76-117(203-133(225)96(32-12-2)184-130(222)92(166)35-19-24-54-161)153(245)195-106(48-51-121(167)212)141(233)186-100(41-22-27-57-164)139(231)197-110(145(237)188-97)64-85-69-178-93-37-17-15-33-89(85)93/h2,15-18,33-34,37-38,46-47,67,69-71,80-84,92,96-120,126-127,178-180,210-211H,11,13-14,19-32,35-36,39-45,48-66,68,72-79,161-166H2,1,3-10H3,(H2,167,212)(H2,168,220)(H,181,223)(H,182,224)(H,183,213)(H,184,222)(H,185,228)(H,186,233)(H,187,226)(H,188,237)(H,189,235)(H,190,241)(H,191,242)(H,192,243)(H,193,244)(H,194,227)(H,195,245)(H,196,230)(H,197,231)(H,198,229)(H,199,236)(H,200,246)(H,201,239)(H,202,221)(H,203,225)(H,204,232)(H,205,238)(H,206,247)(H,207,248)(H,208,234)(H,209,240)(H,214,215)(H,216,217)(H,218,219)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t82-,83-,84+,92-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,126-,127-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217696 (US9212182, 672) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)| Show InChI InChI=1S/C27H19F3N4O4S/c1-38-24-16-18(17-4-2-5-20(14-17)27(28,29)30)6-9-23(24)34-22-10-8-21(15-19(22)7-11-25(34)35)39(36,37)33-26-31-12-3-13-32-26/h2-16H,1H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Ability to activate estrogen receptor 2-mediated transcription.				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450621 (CHEMBL4175832) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C161H247N47O40S6/c1-11-14-38-98-135(225)192-107(53-50-88-34-16-15-17-35-88)144(234)208-129(87(10)210)158(248)206-122-82-254-250-78-118-152(242)189-102(44-25-29-63-165)139(229)196-111(68-84(6)7)146(236)198-114(71-91-74-179-97-40-21-19-37-94(91)97)149(239)204-119(153(243)190-104(46-31-65-176-160(171)172)138(228)183-99(41-22-26-60-162)137(227)193-109(56-59-126(216)217)143(233)207-128(130(168)220)85(8)13-3)79-251-249-77-117(201-131(221)86(9)181-134(224)103(45-30-64-175-159(169)170)185-136(226)100(42-23-27-61-163)188-151(241)116(76-209)200-150(240)115(72-127(218)219)199-156(122)246)157(247)205-121(154(244)191-106(55-58-125(214)215)133(223)180-75-124(213)182-110(67-83(4)5)145(235)187-105(141(231)202-118)47-32-66-177-161(173)174)81-253-252-80-120(203-147(237)112(195-132(222)95(166)33-12-2)69-89-48-51-92(211)52-49-89)155(245)194-108(54-57-123(167)212)142(232)184-101(43-24-28-62-164)140(230)197-113(148(238)186-98)70-90-73-178-96-39-20-18-36-93(90)96/h2,15-21,34-37,39-40,48-49,51-52,73-74,83-87,95,98-122,128-129,178-179,209-211H,11,13-14,22-33,38,41-47,50,53-72,75-82,162-166H2,1,3-10H3,(H2,167,212)(H2,168,220)(H,180,223)(H,181,224)(H,182,213)(H,183,228)(H,184,232)(H,185,226)(H,186,238)(H,187,235)(H,188,241)(H,189,242)(H,190,243)(H,191,244)(H,192,225)(H,193,227)(H,194,245)(H,195,222)(H,196,229)(H,197,230)(H,198,236)(H,199,246)(H,200,240)(H,201,221)(H,202,231)(H,203,237)(H,204,239)(H,205,247)(H,206,248)(H,207,233)(H,208,234)(H,214,215)(H,216,217)(H,218,219)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t85-,86-,87+,95-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217725 (US9212182, 652 | US9212182, 653 | US9212182, 654) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ncc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C25H18ClFN4O5S/c1-14-9-15(3-5-18(14)26)17-11-23(35-2)22(12-19(17)27)31-21-6-4-16(10-20(21)28-13-25(31)32)37(33,34)30-24-7-8-36-29-24/h3-13H,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217799 (US9212182, 1054) Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(C)c1 |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C26H20FN3O5S/c1-16-13-17(3-7-21(16)27)18-4-8-23(24(15-18)34-2)30-22-9-6-20(14-19(22)5-10-26(30)31)36(32,33)29-25-11-12-35-28-25/h3-15H,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM444954 (6-((2,4'-difluoro-5-methoxy-3'-(trifluoromethoxy)-...) Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1cccnn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C25H19F5N6O5S/c1-31-24(37)36(23-8-6-15(13-32-23)42(38,39)35-22-4-3-9-33-34-22)19-12-18(27)16(11-21(19)40-2)14-5-7-17(26)20(10-14)41-25(28,29)30/h3-13H,1-2H3,(H,31,37)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128892 BindingDB Entry DOI: 10.7270/Q29027RX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM217447 (US9212182, 540 | US9212182, 541) Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccncn1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)| Show InChI InChI=1S/C26H17ClF2N4O4S/c1-37-24-12-20(16-8-17(27)11-18(28)9-16)21(29)13-23(24)33-22-4-3-19(10-15(22)2-5-26(33)34)38(35,36)32-25-6-7-30-14-31-25/h2-14H,1H3,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress e...				J Med Chem 60: 5990-6017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01850 BindingDB Entry DOI: 10.7270/Q2H1349F
					More data for this Ligand-Target Pair

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