Compile Data Set for Download or QSAR

Found 4 hits of kd for UniProtKB: P08104   

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 3 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	4.60E+3	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of rat Nav1.3 channel expressed in Xenopus oocytes 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
Cyclin-dependent kinase 13/Cyclin-K (Homo sapiens (Human))	BDBM50594507 (CHEMBL5203891) Show SMILES O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)N1CCNCC1 |r,wU:11.11,wD:14.18,(.41,3.92,;-.66,3.3,;-1.99,4.08,;-1.99,5.62,;-3.32,6.39,;-3.32,7.93,;-4.65,8.7,;-5.99,7.93,;-5.99,6.39,;-4.65,5.62,;-.66,1.76,;-2,1,;-2,-.54,;-3.33,-1.31,;-4.67,-.53,;-4.67,1,;-3.33,1.77,;-6,-1.3,;-6,-2.84,;-4.68,-3.62,;-4.68,-5.16,;-6,-5.92,;-7.34,-5.16,;-7.34,-3.61,;-6,-7.46,;-6,-8.7,;.67,.99,;.67,-.55,;2.01,-1.31,;3.34,-.55,;3.34,.99,;2.01,1.77,;4.67,-1.32,;4.67,-2.85,;6.01,-3.63,;7.34,-2.85,;7.34,-1.32,;6,-.55,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00384 BindingDB Entry DOI: 10.7270/Q2T157NQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K (Homo sapiens (Human))	BDBM50367676 (CHEMBL4160662) Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)| Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00384 BindingDB Entry DOI: 10.7270/Q2T157NQ
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3/4/5/8/9/10/11 subunit alpha (Rattus norvegicus-Rattus norvegicus (Rat))	BDBM50344821 (10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...) Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12| Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Displacement of [3H]saxitoxin from NaV in rat brain membranes				J Nat Prod 82: 1656-1663 (2019) Article DOI: 10.1021/acs.jnatprod.9b00178 BindingDB Entry DOI: 10.7270/Q2TH8R45
					More data for this Ligand-Target Pair				3D Structure (crystal)