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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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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


J Med Chem 58: 7093-118 (2015)

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


J Med Chem 56: 593-624 (2013)

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


J Med Chem 56: 593-624 (2013)

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


J Biol Chem 282: 30699-706 (2007)

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...


J Med Chem 54: 7558-66 (2011)

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...


J Med Chem 54: 7558-66 (2011)

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


J Biol Chem 282: 30699-706 (2007)

More data for this
Ligand-Target Pair