Found 14 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
Sodium channel protein type 2 subunit alpha
(Rattus norvegicus) | BDBM50357365
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.2 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Mus musculus) | BDBM50357365
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)| 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 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of mouse Nav1.6 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by t... |
J Med Chem 54: 7558-66 (2011)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 2 subunit alpha
(Rattus norvegicus) | BDBM50357366
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.2 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50357365
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Mus musculus) | BDBM50357366
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)| 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 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of mouse Nav1.6 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by t... |
J Med Chem 54: 7558-66 (2011)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 3 subunit alpha
(Rattus norvegicus) | BDBM50357365
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 1 subunit alpha
(Rattus norvegicus) | BDBM50357365
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.1 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Rattus norvegicus) | BDBM50357365
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.7 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50357366
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Rattus norvegicus) | BDBM50357365
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.5 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Rattus norvegicus) | BDBM50357366
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.7 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 1 subunit alpha
(Rattus norvegicus) | BDBM50357366
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.1 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 3 subunit alpha
(Rattus norvegicus) | BDBM50357366
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Rattus norvegicus) | BDBM50357366
(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 |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.71E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.5 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)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
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