Compile Data Set for Download or QSAR

Found 6 hits of kd data for polymerid = 6835,50001103,50006849   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521571 (CHEMBL4464990) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.7 expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophysiology method				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM76858 (US9546164, 580 | US9694002, 580) Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(ccc3Cl)C(F)(F)F)CC2)cc1F Show InChI InChI=1S/C25H27ClF4N2O4S/c1-37(34,35)31-24(33)20-11-19(16-2-3-16)23(12-22(20)27)36-14-15-6-8-32(9-7-15)13-17-10-18(25(28,29)30)4-5-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,31,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Binding affinity to mouse Nav1.7 by radioligand binding assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50505257 (CHEMBL4471012) Show SMILES C[C@@H](N1CC[C@H](C1)n1nc(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C24H25Cl2FN4O3S/c1-13-20-10-21(24(32)29-35(33,34)19-3-4-19)22(27)11-23(20)31(28-13)18-5-6-30(12-18)14(2)15-7-16(25)9-17(26)8-15/h7-11,14,18-19H,3-6,12H2,1-2H3,(H,29,32)/t14-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
SiteOne Therapeutics Curated by ChEMBL					Assay Description Binding affinity to mouse Nav1.7 by radioligand binding assay				J Med Chem 62: 8695-8710 (2019) Article DOI: 10.1021/acs.jmedchem.8b01906 BindingDB Entry DOI: 10.7270/Q2M90CZD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Rattus norvegicus)	BDBM50521571 (CHEMBL4464990) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of full length rat Nav1.7 at -60 mV holding potential by manual patch clamp electrophysiology method				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Rattus norvegicus)	BDBM50242400 (CCNCSSKWCRDHSRCC | CHEMBL525818) Show SMILES NCCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2)C(N)=O |r,wU:66.69,85.88,21.127,95.99,101.105,9.9,30.115,115.120,49.49,35.35,wD:45.45,77.80,26.128,15.15,5.4,39.39,(33.73,-5.52,;32.41,-6.3,;32.42,-7.84,;31.09,-8.63,;31.1,-10.17,;29.78,-10.95,;29.81,-9.4,;28.48,-8.61,;27.14,-9.36,;28.51,-7.05,;29.85,-6.3,;31.18,-7.08,;27.17,-6.26,;27.2,-4.71,;28.54,-3.95,;25.87,-3.93,;24.53,-4.69,;24.52,-6.23,;25.88,-2.38,;24.54,-1.59,;24.55,-.05,;23.2,-2.36,;21.87,-1.58,;20.53,-2.35,;19.2,-1.57,;17.87,-2.34,;16.54,-1.56,;15.21,-2.34,;15.21,-3.88,;16.55,-4.65,;13.9,-4.65,;12.56,-3.88,;11.23,-4.65,;15.2,-6.98,;16.53,-6.21,;17.86,-6.98,;17.86,-8.52,;16.53,-9.29,;15.19,-8.52,;16.53,-10.83,;15.19,-11.6,;17.86,-11.6,;19.19,-10.84,;24.41,-10.84,;25.74,-11.6,;25.75,-13.15,;27.06,-13.95,;28.39,-13.22,;28.38,-11.67,;29.71,-14.02,;29.67,-15.56,;30.99,-16.36,;31.12,-17.9,;32.62,-18.25,;33.41,-16.93,;34.92,-16.65,;35.43,-15.2,;34.42,-14.04,;32.92,-14.33,;32.42,-15.77,;31.06,-13.28,;31.1,-11.74,;32.45,-10.99,;24.42,-13.88,;24.38,-15.42,;23.12,-13.08,;21.89,-13.71,;21.87,-15.25,;23.19,-16.04,;23.16,-17.58,;24.48,-18.38,;24.46,-19.92,;25.78,-20.71,;23.11,-20.66,;20.57,-12.97,;20.55,-11.43,;19.26,-13.76,;17.86,-13.14,;17.92,-14.55,;19.25,-15.34,;19.23,-16.88,;20.59,-14.58,;16.62,-13.81,;16.65,-15.35,;15.28,-13.07,;13.95,-13.86,;13.97,-15.4,;12.65,-16.19,;12.5,-17.73,;10.99,-18.07,;10.21,-16.74,;11.22,-15.58,;12.61,-13.12,;12.6,-11.58,;11.28,-13.9,;9.93,-13.14,;8.6,-13.92,;7.26,-13.16,;9.92,-11.6,;8.58,-10.84,;11.24,-10.81,;11.24,-9.27,;9.9,-8.51,;9.89,-6.97,;8.55,-6.21,;8.54,-4.67,;7.2,-3.9,;7.19,-2.36,;5.87,-4.68,;12.56,-8.49,;13.9,-9.25,;12.57,-6.96,;19.2,-6.22,;19.2,-4.68,;20.53,-6.99,;21.86,-6.22,;23.2,-6.99,;23.2,-8.53,;21.86,-9.3,;24.53,-9.3,;21.87,-4.68,;20.53,-3.91,;23.2,-3.91,;16.54,-.02,;17.87,.75,;15.21,.75,)| Show InChI InChI=1S/C70H106N28O22S6/c71-12-4-3-9-36-55(107)87-39(15-31-19-82-35-8-2-1-7-33(31)35)58(110)97-48-27-123-121-24-34(72)54(106)95-47-26-125-126-29-50(68(120)94-46(53(74)105)25-122-124-28-49(98-60(112)41(17-51(73)102)89-66(47)118)67(119)93-45(23-101)64(116)92-44(22-100)63(115)84-36)96-57(109)38(11-6-14-81-70(77)78)85-62(114)43(21-99)91-59(111)40(16-32-20-79-30-83-32)88-61(113)42(18-52(103)104)90-56(108)37(86-65(48)117)10-5-13-80-69(75)76/h1-2,7-8,19-20,30,34,36-50,82,99-101H,3-6,9-18,21-29,71-72H2,(H2,73,102)(H2,74,105)(H,79,83)(H,84,115)(H,85,114)(H,86,117)(H,87,107)(H,88,113)(H,89,118)(H,90,108)(H,91,111)(H,92,116)(H,93,119)(H,94,120)(H,95,106)(H,96,109)(H,97,110)(H,98,112)(H,103,104)(H4,75,76,80)(H4,77,78,81)/t34-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of rat Nav1.7 channel expressed in Xenopus oocyte by whole cell voltage clamp technique				J Biol Chem 282: 30699-706 (2007) Article DOI: 10.1074/jbc.M704616200 BindingDB Entry DOI: 10.7270/Q2028RBX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Rattus norvegicus)	BDBM50118518 (CHEMBL3617066) Show SMILES [H][C@@]12CSSC[C@]3([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](N)C(=O)N1)NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC3=O)C(O)=O)NC(=O)[C@H](CC(N)=O)NC2=O |r| Show InChI InChI=1S/C70H105N27O23S6/c71-12-4-3-9-36-54(105)86-39(15-31-19-81-35-8-2-1-7-33(31)35)57(108)95-47-26-122-121-24-34(72)53(104)93-46-25-123-124-28-49(67(118)97-50(68(119)120)29-126-125-27-48(96-59(110)41(17-51(73)101)88-65(46)116)66(117)92-45(23-100)63(114)91-44(22-99)62(113)83-36)94-56(107)38(11-6-14-80-70(76)77)84-61(112)43(21-98)90-58(109)40(16-32-20-78-30-82-32)87-60(111)42(18-52(102)103)89-55(106)37(85-64(47)115)10-5-13-79-69(74)75/h1-2,7-8,19-20,30,34,36-50,81,98-100H,3-6,9-18,21-29,71-72H2,(H2,73,101)(H,78,82)(H,83,113)(H,84,112)(H,85,115)(H,86,105)(H,87,111)(H,88,116)(H,89,106)(H,90,109)(H,91,114)(H,92,117)(H,93,104)(H,94,107)(H,95,108)(H,96,110)(H,97,118)(H,102,103)(H,119,120)(H4,74,75,79)(H4,76,77,80)/t34-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat NaV1.7 channel by two-electrode voltage-clamp method				J Med Chem 58: 7093-118 (2015) Article DOI: 10.1021/jm501981g BindingDB Entry DOI: 10.7270/Q2XS5X6P
					More data for this Ligand-Target Pair