Found 11 hits of kd for UniProtKB: P04775 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 2 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 | 3 | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.2 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 | |
Sodium channel protein type 2 subunit alpha
(Rattus norvegicus) | BDBM50492337
(CHEMBL2402974)Show SMILES [H][C@]1(N)CSSC[C@]2([H])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCCCCCC)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]3([H])CSSC[C@H](NC(=O)[C@]([H])(CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r| Show InChI InChI=1S/C74H113N27O22S6/c1-2-3-4-5-6-9-18-101-25-56(106)87-43(19-36-23-85-40-13-8-7-12-38(36)40)62(113)99-52-32-126-124-29-39(75)59(110)97-51-31-128-129-34-54(71(122)96-50(58(77)109)30-125-127-33-53(100-64(115)45(21-55(76)105)91-69(51)120)70(121)94-48(27-103)67(118)95-49(28-104)72(101)123)98-61(112)42(15-11-17-84-74(80)81)88-66(117)47(26-102)93-63(114)44(20-37-24-82-35-86-37)90-65(116)46(22-57(107)108)92-60(111)41(89-68(52)119)14-10-16-83-73(78)79/h7-8,12-13,23-24,35,39,41-54,85,102-104H,2-6,9-11,14-22,25-34,75H2,1H3,(H2,76,105)(H2,77,109)(H,82,86)(H,87,106)(H,88,117)(H,89,119)(H,90,116)(H,91,120)(H,92,111)(H,93,114)(H,94,121)(H,95,118)(H,96,122)(H,97,110)(H,98,112)(H,99,113)(H,100,115)(H,107,108)(H4,78,79,83)(H4,80,81,84)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes |
Eur J Med Chem 65: 144-50 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.041
BindingDB Entry DOI: 10.7270/Q23B632D |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 2 subunit alpha
(Rattus norvegicus) | BDBM50492338
(CHEMBL2402971)Show SMILES C[C@H](N)C(=O)NC1C[Se][Se]CC2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC2=O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O |r| Show InChI InChI=1S/C67H101N27O22S2Se2/c1-29(68)52(103)92-46-26-119-120-27-47-64(115)90-44(51(70)102)24-117-118-25-45(91-58(109)39(16-48(69)98)85-63(46)114)62(113)88-42(22-96)61(112)89-43(23-97)65(116)94(3)20-49(99)81-37(14-31-18-78-34-9-5-4-8-33(31)34)56(107)80-30(2)53(104)82-35(10-6-12-76-66(71)72)54(105)86-40(17-50(100)101)59(110)84-38(15-32-19-75-28-79-32)57(108)87-41(21-95)60(111)83-36(55(106)93-47)11-7-13-77-67(73)74/h4-5,8-9,18-19,28-30,35-47,78,95-97H,6-7,10-17,20-27,68H2,1-3H3,(H2,69,98)(H2,70,102)(H,75,79)(H,80,107)(H,81,99)(H,82,104)(H,83,111)(H,84,110)(H,85,114)(H,86,105)(H,87,108)(H,88,113)(H,89,112)(H,90,115)(H,91,109)(H,92,103)(H,93,106)(H,100,101)(H4,71,72,76)(H4,73,74,77)/t29-,30-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46?,47?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes |
Eur J Med Chem 65: 144-50 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.041
BindingDB Entry DOI: 10.7270/Q23B632D |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 2 subunit alpha
(Rattus norvegicus) | BDBM50492339
(CHEMBL2402970)Show SMILES [H][C@]1(N)CSSC[C@]2([H])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r| Show InChI InChI=1S/C67H99N27O22S6/c1-94-18-49(99)80-36(12-29-16-78-33-7-3-2-6-31(29)33)55(106)92-45-25-119-117-22-32(68)52(103)90-44-24-121-122-27-47(64(115)89-43(51(70)102)23-118-120-26-46(93-57(108)38(14-48(69)98)84-62(44)113)63(114)87-41(20-96)60(111)88-42(21-97)65(94)116)91-54(105)35(9-5-11-77-67(73)74)81-59(110)40(19-95)86-56(107)37(13-30-17-75-28-79-30)83-58(109)39(15-50(100)101)85-53(104)34(82-61(45)112)8-4-10-76-66(71)72/h2-3,6-7,16-17,28,32,34-47,78,95-97H,4-5,8-15,18-27,68H2,1H3,(H2,69,98)(H2,70,102)(H,75,79)(H,80,99)(H,81,110)(H,82,112)(H,83,109)(H,84,113)(H,85,104)(H,86,107)(H,87,114)(H,88,111)(H,89,115)(H,90,103)(H,91,105)(H,92,106)(H,93,108)(H,100,101)(H4,71,72,76)(H4,73,74,77)/t32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes |
Eur J Med Chem 65: 144-50 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.041
BindingDB Entry DOI: 10.7270/Q23B632D |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 2 subunit alpha
(Rattus norvegicus) | BDBM50492340
(CHEMBL2402969)Show SMILES [H][C@]1(N)CSSC[C@]2([H])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@]([H])(CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r| 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
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes |
Eur J Med Chem 65: 144-50 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.041
BindingDB Entry DOI: 10.7270/Q23B632D |
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,)| | 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 | |
Sodium channel protein type 2 subunit alpha
(Rattus norvegicus) | BDBM50492342
(CHEMBL2402972)Show SMILES [H][C@]1(N)CSSC[C@]2([H])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCC)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r| Show InChI InChI=1S/C70H105N27O22S6/c1-2-3-14-97-21-52(102)83-39(15-32-19-81-36-9-5-4-8-34(32)36)58(109)95-48-28-122-120-25-35(71)55(106)93-47-27-124-125-30-50(67(118)92-46(54(73)105)26-121-123-29-49(96-60(111)41(17-51(72)101)87-65(47)116)66(117)90-44(23-99)63(114)91-45(24-100)68(97)119)94-57(108)38(11-7-13-80-70(76)77)84-62(113)43(22-98)89-59(110)40(16-33-20-78-31-82-33)86-61(112)42(18-53(103)104)88-56(107)37(85-64(48)115)10-6-12-79-69(74)75/h4-5,8-9,19-20,31,35,37-50,81,98-100H,2-3,6-7,10-18,21-30,71H2,1H3,(H2,72,101)(H2,73,105)(H,78,82)(H,83,102)(H,84,113)(H,85,115)(H,86,112)(H,87,116)(H,88,107)(H,89,110)(H,90,117)(H,91,114)(H,92,118)(H,93,106)(H,94,108)(H,95,109)(H,96,111)(H,103,104)(H4,74,75,79)(H4,76,77,80)/t35-,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
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes |
Eur J Med Chem 65: 144-50 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.041
BindingDB Entry DOI: 10.7270/Q23B632D |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 2 subunit alpha
(Rattus norvegicus) | BDBM50492343
(CHEMBL2402975)Show SMILES CCCCCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC2C[Se][Se]CC(NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC2=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C1=O |r| Show InChI InChI=1S/C74H115N27O22S2Se2/c1-4-5-6-7-8-11-20-101-27-56(106)88-44(21-38-25-85-41-15-10-9-14-40(38)41)63(114)87-37(3)60(111)89-42(16-12-18-83-73(78)79)61(112)93-47(24-57(107)108)66(117)91-45(22-39-26-82-35-86-39)64(115)94-48(28-102)67(118)90-43(17-13-19-84-74(80)81)62(113)100-54-34-127-126-33-53(99-59(110)36(2)75)70(121)92-46(23-55(76)105)65(116)98-52(32-125-124-31-51(58(77)109)97-71(54)122)69(120)95-49(29-103)68(119)96-50(30-104)72(101)123/h9-10,14-15,25-26,35-37,42-54,85,102-104H,4-8,11-13,16-24,27-34,75H2,1-3H3,(H2,76,105)(H2,77,109)(H,82,86)(H,87,114)(H,88,106)(H,89,111)(H,90,118)(H,91,117)(H,92,121)(H,93,112)(H,94,115)(H,95,120)(H,96,119)(H,97,122)(H,98,116)(H,99,110)(H,100,113)(H,107,108)(H4,78,79,83)(H4,80,81,84)/t36-,37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53?,54?/m0/s1 | PDB
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| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes |
Eur J Med Chem 65: 144-50 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.041
BindingDB Entry DOI: 10.7270/Q23B632D |
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
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| PDB
Article
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| 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) |
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
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| 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 2 subunit alpha
(Rattus norvegicus) | BDBM50492341
(CHEMBL2402973)Show SMILES CCCCN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC2C[Se][Se]CC(NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC2=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C1=O |r| Show InChI InChI=1S/C70H107N27O22S2Se2/c1-4-5-16-97-23-52(102)84-40(17-34-21-81-37-11-7-6-10-36(34)37)59(110)83-33(3)56(107)85-38(12-8-14-79-69(74)75)57(108)89-43(20-53(103)104)62(113)87-41(18-35-22-78-31-82-35)60(111)90-44(24-98)63(114)86-39(13-9-15-80-70(76)77)58(109)96-50-30-123-122-29-49(95-55(106)32(2)71)66(117)88-42(19-51(72)101)61(112)94-48(28-121-120-27-47(54(73)105)93-67(50)118)65(116)91-45(25-99)64(115)92-46(26-100)68(97)119/h6-7,10-11,21-22,31-33,38-50,81,98-100H,4-5,8-9,12-20,23-30,71H2,1-3H3,(H2,72,101)(H2,73,105)(H,78,82)(H,83,110)(H,84,102)(H,85,107)(H,86,114)(H,87,113)(H,88,117)(H,89,108)(H,90,111)(H,91,116)(H,92,115)(H,93,118)(H,94,112)(H,95,106)(H,96,109)(H,103,104)(H4,74,75,79)(H4,76,77,80)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49?,50?/m0/s1 | PDB
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| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes |
Eur J Med Chem 65: 144-50 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.041
BindingDB Entry DOI: 10.7270/Q23B632D |
More data for this
Ligand-Target Pair | |
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