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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type III alpha subunit' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Sodium channel protein type III alpha subunit


(Rattus norvegicus)
BDBM50118517
PNG
(CHEMBL3617067)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1/C166H263N53O50S6/c1-9-83(8)132(133(176)238)218-144(249)99(43-46-129(234)235)198-145(250)103(57-85-37-39-88(224)40-38-85)201-139(244)94(32-17-21-49-169)195-157(262)116(75-272)214-146(251)104(58-86-64-184-91-29-14-13-28-89(86)91)202-141(246)97(35-24-52-183-166(179)180)193-147(252)105(59-87-65-181-79-188-87)203-140(245)93(31-16-20-48-168)192-138(243)96(34-23-51-182-165(177)178)194-152(257)110(69-220)210-160(265)119(78-275)216-163(268)131(82(6)7)217-151(256)101(55-81(4)5)200-148(253)106(60-122(173)226)204-153(258)111(70-221)209-155(260)112(71-222)208-142(247)95(33-18-22-50-170)196-158(263)117(76-273)215-161(266)118(77-274)213-143(248)98(42-44-121(172)225)197-150(255)108(63-130(236)237)206-149(254)107(61-123(174)227)205-154(259)113(72-223)211-162(267)120-36-25-53-219(120)164(269)109(62-124(175)228)207-156(261)114(73-270)191-127(231)68-185-135(240)92(30-15-19-47-167)189-125(229)66-187-137(242)102(56-84-26-11-10-12-27-84)190-126(230)67-186-136(241)100(54-80(2)3)199-159(264)115(74-271)212-134(239)90(171)41-45-128(232)233/h10-14,26-29,37-40,64-65,79-83,90,92-120,131-132,184,220-224,270-275H,9,15-25,30-36,41-63,66-78,167-171H2,1-8H3,(H2,172,225)(H2,173,226)(H2,174,227)(H2,175,228)(H2,176,238)(H,181,188)(H,185,240)(H,186,241)(H,187,242)(H,189,229)(H,190,230)(H,191,231)(H,192,243)(H,193,252)(H,194,257)(H,195,262)(H,196,263)(H,197,255)(H,198,250)(H,199,264)(H,200,253)(H,201,244)(H,202,246)(H,203,245)(H,204,258)(H,205,259)(H,206,254)(H,207,261)(H,208,247)(H,209,260)(H,210,265)(H,211,267)(H,212,239)(H,213,248)(H,214,251)(H,215,266)(H,216,268)(H,217,256)(H,218,249)(H,232,233)(H,234,235)(H,236,237)(H4,177,178,182)(H4,179,180,183)/t83-,90-,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-,117-,118-,119-,120-,131-,132-/s2
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KEGG

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PubMed
n/an/a 375n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat NaV1.3 channel


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type III alpha subunit


(Rattus norvegicus)
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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n/an/a 415n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat inactivated voltage-gated Na channel 1.3 expressed in human HEK293 cells by patch-clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type III alpha subunit


(Rattus norvegicus)
BDBM50004782
PNG
(CHEMBL2324353)
Show SMILES Clc1cc(Cl)cc(c1)[C@H]1CCN(C1)[C@H]1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C23H22Cl2N4O3S2/c24-17-11-16(12-18(25)13-17)15-5-8-28(14-15)21-6-9-29(22(21)30)19-1-3-20(4-2-19)34(31,32)27-23-26-7-10-33-23/h1-4,7,10-13,15,21H,5-6,8-9,14H2,(H,26,27)/t15-,21-/m0/s1
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n/an/a<2.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat voltage-gated Na channel 1.3 in dorsal root ganglion neurons by patch clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type III alpha subunit


(Rattus norvegicus)
BDBM50242400
PNG
(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
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
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n/an/a 8.00E+3n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type III alpha subunit


(Rattus norvegicus)
BDBM50357365
PNG
(CHEMBL1917113)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C51H78N20O12/c1-27(72)64-33(12-4-6-16-52)43(77)68-36(20-28-24-62-31-11-3-2-10-30(28)31)46(80)70-38-22-40(73)59-17-7-5-13-34(44(78)65-32(42(53)76)14-8-18-60-50(54)55)66-47(81)37(21-29-25-58-26-63-29)69-49(83)39(23-41(74)75)71-45(79)35(67-48(38)82)15-9-19-61-51(56)57/h2-3,10-11,24-26,32-39,62H,4-9,12-23,52H2,1H3,(H2,53,76)(H,58,63)(H,59,73)(H,64,72)(H,65,78)(H,66,81)(H,67,82)(H,68,77)(H,69,83)(H,70,80)(H,71,79)(H,74,75)(H4,54,55,60)(H4,56,57,61)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.3 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type III alpha subunit


(Rattus norvegicus)
BDBM50357366
PNG
(CHEMBL1917112)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C51H78N20O12/c1-27(72)64-33(12-4-6-16-52)43(77)68-36(20-28-24-62-31-11-3-2-10-30(28)31)46(80)67-34-13-5-7-17-59-40(73)22-38(48(82)65-32(42(53)76)14-8-18-60-50(54)55)70-47(81)37(21-29-25-58-26-63-29)69-49(83)39(23-41(74)75)71-45(79)35(66-44(34)78)15-9-19-61-51(56)57/h2-3,10-11,24-26,32-39,62H,4-9,12-23,52H2,1H3,(H2,53,76)(H,58,63)(H,59,73)(H,64,72)(H,65,82)(H,66,78)(H,67,80)(H,68,77)(H,69,83)(H,70,81)(H,71,79)(H,74,75)(H4,54,55,60)(H4,56,57,61)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.3 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type III alpha subunit


(Rattus norvegicus)
BDBM50242400
PNG
(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
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
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n/an/an/a 4.60E+3n/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair