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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'inaba' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium channel subunit beta-2


(Homo sapiens)
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM70937
PNG
(US9546164, 100 | US9694002, 100)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613335
PNG
(CHEMBL5288162)
Show SMILES Cc1cn(-c2cccc(F)c2)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 14n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613342
PNG
(CHEMBL5286433)
Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
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n/an/a 15n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613344
PNG
(CHEMBL5284082)
Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
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n/an/a 15n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613336
PNG
(CHEMBL5276801)
Show SMILES Cc1cn(-c2cccc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 16n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613336
PNG
(CHEMBL5276801)
Show SMILES Cc1cn(-c2cccc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 19n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613337
PNG
(CHEMBL5286829)
Show SMILES Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB
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n/an/a 32n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613334
PNG
(CHEMBL5270366)
Show SMILES Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 34n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613328
PNG
(CHEMBL5280425)
Show SMILES Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 38n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613344
PNG
(CHEMBL5284082)
Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
PDB
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TBA



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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50405441
PNG
(CHEMBL5286125)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(c[nH]2)C(C)C)cc1OC
Show InChI InChI=1S/C25H33N3O4/c1-17(2)22-15-27-25(28-22)19-6-8-21(9-7-19)32-16-20(29)14-26-12-11-18-5-10-23(30-3)24(13-18)31-4/h5-10,13,15,17,20,26,29H,11-12,14,16H2,1-4H3,(H,27,28)
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n/an/a 52n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613332
PNG
(CHEMBL5285313)
Show SMILES Cc1cn(-c2cccc(C)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 58n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613343
PNG
(CHEMBL5287784)
Show SMILES Cc1cn(-c2ccc(nc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB
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n/an/a 59n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613342
PNG
(CHEMBL5286433)
Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB

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n/an/a 61n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613341
PNG
(CHEMBL5267728)
Show SMILES Cc1cn(-c2cncc(Cl)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB
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n/an/a 85n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613330
PNG
(CHEMBL5269981)
Show SMILES Cc1cn(-c2cccc(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 87n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613333
PNG
(CHEMBL5276666)
Show SMILES COc1cccc(c1)-n1cc(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 190n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613329
PNG
(CHEMBL5270710)
Show SMILES Cc1cn(-c2ccc(F)cc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 190n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM70937
PNG
(US9546164, 100 | US9694002, 100)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 202n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613331
PNG
(CHEMBL5283939)
Show SMILES Cc1cn(-c2ccc(Cl)cc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 260n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613325
PNG
(CHEMBL5273849)
Show SMILES Cc1cn(-c2ccccc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB
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n/an/a 330n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613341
PNG
(CHEMBL5267728)
Show SMILES Cc1cn(-c2cncc(Cl)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB

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n/an/a 460n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM70937
PNG
(US9546164, 100 | US9694002, 100)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 551n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613334
PNG
(CHEMBL5270366)
Show SMILES Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 680n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613337
PNG
(CHEMBL5286829)
Show SMILES Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB

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n/an/a 810n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613340
PNG
(CHEMBL5277736)
Show SMILES Cc1cn(-c2cncc(F)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB
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n/an/a 860n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613328
PNG
(CHEMBL5280425)
Show SMILES Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613335
PNG
(CHEMBL5288162)
Show SMILES Cc1cn(-c2cccc(F)c2)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 980n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50613344
PNG
(CHEMBL5284082)
Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
MMDB

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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613343
PNG
(CHEMBL5287784)
Show SMILES Cc1cn(-c2ccc(nc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB

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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613338
PNG
(CHEMBL5276509)
Show SMILES Cc1cn(-c2cccnc2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613332
PNG
(CHEMBL5285313)
Show SMILES Cc1cn(-c2cccc(C)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613330
PNG
(CHEMBL5269981)
Show SMILES Cc1cn(-c2cccc(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50405441
PNG
(CHEMBL5286125)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(c[nH]2)C(C)C)cc1OC
Show InChI InChI=1S/C25H33N3O4/c1-17(2)22-15-27-25(28-22)19-6-8-21(9-7-19)32-16-20(29)14-26-12-11-18-5-10-23(30-3)24(13-18)31-4/h5-10,13,15,17,20,26,29H,11-12,14,16H2,1-4H3,(H,27,28)
PDB

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PC cid
PC sid
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Similars

n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613333
PNG
(CHEMBL5276666)
Show SMILES COc1cccc(c1)-n1cc(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613340
PNG
(CHEMBL5277736)
Show SMILES Cc1cn(-c2cncc(F)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB

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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613325
PNG
(CHEMBL5273849)
Show SMILES Cc1cn(-c2ccccc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613329
PNG
(CHEMBL5270710)
Show SMILES Cc1cn(-c2ccc(F)cc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50613337
PNG
(CHEMBL5286829)
Show SMILES Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
MMDB

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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50613327
PNG
(CHEMBL5282205)
Show SMILES Cc1cn(-c2ccccc2F)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB
MMDB

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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50613342
PNG
(CHEMBL5286433)
Show SMILES Cc1cn(-c2cncc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
MMDB

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n/an/a 6.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613331
PNG
(CHEMBL5283939)
Show SMILES Cc1cn(-c2ccc(Cl)cc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a 7.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50613341
PNG
(CHEMBL5267728)
Show SMILES Cc1cn(-c2cncc(Cl)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
MMDB

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n/an/a 9.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613338
PNG
(CHEMBL5276509)
Show SMILES Cc1cn(-c2cccnc2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613326
PNG
(CHEMBL5268483)
Show SMILES Cn1cc(-c2ccccc2)c2cc(ccc12)C(=O)NS(C)(=O)=O
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613324
PNG
(CHEMBL5275424)
Show SMILES CS(=O)(=O)NC(=O)c1ccc2[nH]cc(-c3ccccc3)c2c1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM50613323
PNG
(CHEMBL5271841)
Show SMILES CS(=O)(=O)NC(=O)c1ccc2n(Cc3ccccc3)ccc2c1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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