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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'longin' and Initial = 'o'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50370682
PNG
(SOLIFENACIN)
Show SMILES [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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Similars

n/an/a 270n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609447
PNG
(CHEMBL5284728)
Show SMILES Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:20.22,7.7,(-2.02,4.63,;-2.02,3.09,;-3.36,2.33,;-3.36,.79,;-2.02,0,;-.7,.79,;-.7,2.33,;-2.02,-1.55,;-.67,-2.32,;-.67,-3.86,;-2.02,-4.63,;-3.36,-3.86,;-4.7,-4.63,;-6.02,-3.86,;-6.02,-2.32,;-4.7,-1.55,;-3.36,-2.32,;.67,-1.52,;.67,.03,;2.02,-2.31,;3.35,-1.51,;4.7,-2.29,;6.01,-1.5,;6.02,.06,;4.67,.81,;3.32,.06,;4.86,-.09,;4.48,-1.34,)|
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n/an/a 340n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609452
PNG
(CHEMBL5270350)
Show SMILES CN1CC[C@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:6|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609448
PNG
(CHEMBL5278585)
Show SMILES Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C1=NC[C@@H](O1)C1CN2CCC1CC2 |r,wD:7.7,20.25,t:20,(2.63,-4.63,;2.63,-3.09,;3.96,-2.33,;3.96,-.79,;2.63,-0,;1.3,-.79,;1.3,-2.33,;2.63,1.55,;1.28,2.32,;1.28,3.86,;2.63,4.63,;3.96,3.86,;5.3,4.63,;6.63,3.86,;6.63,2.32,;5.3,1.55,;3.96,2.32,;-.06,1.53,;-.05,-.01,;-1.54,-.5,;-2.43,.72,;-1.53,1.97,;-3.97,.72,;-5.39,1.37,;-6.63,.45,;-6.49,-1.1,;-5.07,-1.72,;-3.8,-.84,;-5.34,-.84,;-5.09,.44,)|
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n/an/a 680n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609449
PNG
(CHEMBL5290639)
Show SMILES Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C1=NC[C@H](O1)C1CN2CCC1CC2 |r,wU:20.25,wD:7.7,t:20,(2.63,-4.63,;2.63,-3.09,;3.96,-2.33,;3.96,-.79,;2.63,-0,;1.3,-.79,;1.3,-2.33,;2.63,1.55,;1.28,2.32,;1.28,3.86,;2.63,4.63,;3.96,3.86,;5.3,4.63,;6.63,3.86,;6.63,2.32,;5.3,1.55,;3.96,2.32,;-.06,1.53,;-.05,-.01,;-1.54,-.5,;-2.43,.72,;-1.53,1.97,;-3.97,.72,;-5.39,1.37,;-6.63,.45,;-6.49,-1.1,;-5.07,-1.72,;-3.8,-.84,;-5.34,-.84,;-5.09,.44,)|
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n/an/a 690n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609451
PNG
(CHEMBL5267232)
Show SMILES CN1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:6|
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n/an/a 1.70E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609467
PNG
(CHEMBL5288288)
Show SMILES [H][C@@]1(CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1CNC1 |r,c:3|
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n/an/a 2.20E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609464
PNG
(CHEMBL5273870)
Show SMILES [H][C@@]1(CCNC1)[C@@]1([H])CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609461
PNG
(CHEMBL5268245)
Show SMILES [H][C@@]12CNCC[C@@]1([H])OC(=NC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
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n/an/a 3.10E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609472
PNG
(CHEMBL5287100)
Show SMILES [H][C@]1(COC(=N1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1(F)CNC1 |r,c:4|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609460
PNG
(CHEMBL5288534)
Show SMILES [H][C@@]12CNC[C@]1([H])N=C(OC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:8|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609469
PNG
(CHEMBL5285699)
Show SMILES [H][C@]1(CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1(F)CNC1 |r,c:3|
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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609454
PNG
(CHEMBL5280684)
Show SMILES CN(C)[C@H]1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:8|
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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609465
PNG
(CHEMBL5287033)
Show SMILES [H][C@@]1(CCNC1)[C@]1([H])CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
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n/an/a 3.90E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609457
PNG
(CHEMBL5271222)
Show SMILES OCCN1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:8|
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n/an/a 4.40E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609458
PNG
(CHEMBL5267767)
Show SMILES OCCCN1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:9|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609450
PNG
(CHEMBL5269880)
Show SMILES Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C1=NC[C@@]2(CCNC2)O1 |r,t:20|
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n/an/a 4.80E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609459
PNG
(CHEMBL5279044)
Show SMILES [H][C@]12CNC[C@@]1([H])OC(=NC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:9|
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n/an/a 5.10E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609466
PNG
(CHEMBL5288607)
Show SMILES [H][C@]1(CCNC1)[C@]1([H])CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
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n/an/a 5.40E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609468
PNG
(CHEMBL5281792)
Show SMILES [H][C@]1(CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1CNC1 |r,c:3|
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n/an/a 6.20E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609463
PNG
(CHEMBL5275548)
Show SMILES [H][C@]1(CCNC1)[C@@]1([H])CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
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n/an/a 6.70E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609456
PNG
(CHEMBL5289822)
Show SMILES CN(C)[C@H]1C[C@]2(C1)CN=C(O2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,wU:5.7,3.2,wD:20.24,c:9,(-6.19,-1.76,;-5.79,-.27,;-6.88,.82,;-4.3,.13,;-3.52,1.49,;-2.18,.72,;-2.97,-.64,;-1.29,-.49,;.2,-.01,;.19,1.53,;-1.28,1.97,;1.53,2.32,;1.53,3.86,;2.88,4.63,;4.21,3.86,;5.55,4.63,;6.88,3.86,;6.88,2.32,;5.55,1.55,;4.21,2.32,;2.88,1.55,;2.88,-0,;4.21,-.79,;4.21,-2.33,;2.88,-3.09,;2.88,-4.63,;1.56,-2.33,;1.56,-.79,)|
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n/an/a 7.00E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609455
PNG
(CHEMBL5281603)
Show SMILES CN(C)[C@H]1CC[C@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:8|
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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609453
PNG
(CHEMBL5272819)
Show SMILES N[C@@H]1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:6|
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n/an/a 8.80E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609471
PNG
(CHEMBL5284190)
Show SMILES [H][C@@]1(COC(=N1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1(F)CNC1 |r,c:4|
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n/an/a 1.00E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609470
PNG
(CHEMBL5268324)
Show SMILES [H][C@@]1(CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1(F)CNC1 |r,c:3|
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Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50609462
PNG
(CHEMBL5289562)
Show SMILES [H][C@@]12CNCC[C@]1([H])OC(=NC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
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n/an/a 2.10E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50370682
PNG
(SOLIFENACIN)
Show SMILES [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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PC cid
PC sid
UniChem

Similars

DrugBank
n/an/an/an/a 24n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609447
PNG
(CHEMBL5284728)
Show SMILES Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:20.22,7.7,(-2.02,4.63,;-2.02,3.09,;-3.36,2.33,;-3.36,.79,;-2.02,0,;-.7,.79,;-.7,2.33,;-2.02,-1.55,;-.67,-2.32,;-.67,-3.86,;-2.02,-4.63,;-3.36,-3.86,;-4.7,-4.63,;-6.02,-3.86,;-6.02,-2.32,;-4.7,-1.55,;-3.36,-2.32,;.67,-1.52,;.67,.03,;2.02,-2.31,;3.35,-1.51,;4.7,-2.29,;6.01,-1.5,;6.02,.06,;4.67,.81,;3.32,.06,;4.86,-.09,;4.48,-1.34,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.70E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair