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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'makhal' and Initial = 'pn'   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610906
PNG
(CHEMBL5267320)
Show SMILES CC[C@H](CO)[C@@](C)(O)C\C=C\C(C)(C)OC(=O)C[C@]1(C)C=CC[C@@H](C)[C@]11OC(C)(CC)C=C1 |r,c:20,32|
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n/an/a 0.650n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610905
PNG
(CHEMBL5267685)
Show SMILES CCC[C@H](O)CCOC(=O)CC[C@]1(C)C=CC[C@@H](C)[C@]11OC(C)(CC)C=C1 |r,c:14,26|
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610907
PNG
(CHEMBL5270325)
Show SMILES [H][C@@]12C=CC[C@@H](CCOC(=O)CCCC)[C@]1([H])C(=O)O[C@@]2(C)CO |r,c:2|
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TBA



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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610906
PNG
(CHEMBL5267320)
Show SMILES CC[C@H](CO)[C@@](C)(O)C\C=C\C(C)(C)OC(=O)C[C@]1(C)C=CC[C@@H](C)[C@]11OC(C)(CC)C=C1 |r,c:20,32|
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Citation and Details
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610905
PNG
(CHEMBL5267685)
Show SMILES CCC[C@H](O)CCOC(=O)CC[C@]1(C)C=CC[C@@H](C)[C@]11OC(C)(CC)C=C1 |r,c:14,26|
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610907
PNG
(CHEMBL5270325)
Show SMILES [H][C@@]12C=CC[C@@H](CCOC(=O)CCCC)[C@]1([H])C(=O)O[C@@]2(C)CO |r,c:2|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610902
PNG
(CHEMBL5290007)
Show SMILES CC1CCC2(C)C(CCCC2=C)C1(C)CCC1=CC(=O)OC1O |t:18|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610903
PNG
(CHEMBL5284118)
Show SMILES CC1CCC2(C)C(CCC=C2C)C1(C)CCC1=CC(=O)OC1O |c:9,t:18|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610901
PNG
(CHEMBL5283932)
Show SMILES CC1CCC2(C)C(CCC=C2C)C1(C)CC\C(CO)=C/C(O)=O |c:9|
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610902
PNG
(CHEMBL5290007)
Show SMILES CC1CCC2(C)C(CCCC2=C)C1(C)CCC1=CC(=O)OC1O |t:18|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610904
PNG
(CHEMBL5267222)
Show SMILES CC1CCC2(C)C(CCC(O)C2=C)C1(C)CCC1=CC(=O)OC1O |t:19|
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610903
PNG
(CHEMBL5284118)
Show SMILES CC1CCC2(C)C(CCC=C2C)C1(C)CCC1=CC(=O)OC1O |c:9,t:18|
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610904
PNG
(CHEMBL5267222)
Show SMILES CC1CCC2(C)C(CCC(O)C2=C)C1(C)CCC1=CC(=O)OC1O |t:19|
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610884
PNG
(CHEMBL5280920)
Show SMILES Clc1ccc(\C=C2/N=C(N(C2=O)c2ccc(cc2)-c2nc3ccccc3o2)c2ccccc2)cc1 |c:7|
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610901
PNG
(CHEMBL5283932)
Show SMILES CC1CCC2(C)C(CCC=C2C)C1(C)CC\C(CO)=C/C(O)=O |c:9|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610887
PNG
(CHEMBL5271224)
Show SMILES COc1cc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc(OC)c1OC
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610881
PNG
(CHEMBL5276738)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(sc1C(=O)c1cccc2ccccc12)N(c1ccccc1)c1ccccc1
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50503028
PNG
(CHEMBL4464351)
Show SMILES COc1cc(\C=C\C(=O)c2sc(NC(=O)c3ccccc3)nc2C)cc(OC)c1OC
Show InChI InChI=1S/C23H22N2O5S/c1-14-21(31-23(24-14)25-22(27)16-8-6-5-7-9-16)17(26)11-10-15-12-18(28-2)20(30-4)19(13-15)29-3/h5-13H,1-4H3,(H,24,25,27)/b11-10+
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610882
PNG
(CHEMBL5286316)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=CS\C(=N/C(=O)c2cccc3ccccc23)C1c1ccccc1 |t:10|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50610900
PNG
(CHEMBL5269886)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CCC(=C)[C@H](O)CCC2=C |r|
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610900
PNG
(CHEMBL5269886)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CCC(=C)[C@H](O)CCC2=C |r|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610880
PNG
(CHEMBL5282397)
Show SMILES Cc1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N(c1ccccc1)c1ccccc1
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610898
PNG
(CHEMBL5286816)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NC2CCCCC2)c1
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610897
PNG
(CHEMBL5278506)
Show SMILES CCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102414
PNG
(5-(2,5-Dihydroxy-benzylamino)-N-hexyl-2-hydroxy-be...)
Show SMILES CCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C20H26N2O4/c1-2-3-4-5-10-21-20(26)17-12-15(6-8-19(17)25)22-13-14-11-16(23)7-9-18(14)24/h6-9,11-12,22-25H,2-5,10,13H2,1H3,(H,21,26)
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610896
PNG
(CHEMBL5270103)
Show SMILES Oc1ccc(O)c(\C=N\c2ccc(O)c(c2)C(=O)NC2CCCCC2)c1
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610893
PNG
(CHEMBL5274140)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)-n1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)nn1
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610894
PNG
(CHEMBL5285584)
Show SMILES CC(=O)OC[C@@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(CNC(=O)C(=O)c2cn(c3ccccc23)S(=O)(=O)c2ccc(C)cc2)nn1 |r|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610883
PNG
(CHEMBL5279631)
Show SMILES CCc1cc(OC)c(OC)c(OC)c1
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50252422
PNG
(CHEBI:63672 | CHEMBL498917)
Show SMILES COc1cc(O)cc(\C=C\c2ccc(O)cc2)c1
Show InChI InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610884
PNG
(CHEMBL5280920)
Show SMILES Clc1ccc(\C=C2/N=C(N(C2=O)c2ccc(cc2)-c2nc3ccccc3o2)c2ccccc2)cc1 |c:7|
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610886
PNG
(CHEMBL5274509)
Show SMILES COc1ccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc1OC
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Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610881
PNG
(CHEMBL5276738)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(sc1C(=O)c1cccc2ccccc12)N(c1ccccc1)c1ccccc1
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610882
PNG
(CHEMBL5286316)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=CS\C(=N/C(=O)c2cccc3ccccc23)C1c1ccccc1 |t:10|
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Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610885
PNG
(CHEMBL5276771)
Show SMILES COc1cccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)c1
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610891
PNG
(CHEMBL5198267)
Show SMILES CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1C(O)=O |t:1|
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Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610890
PNG
(CHEMBL5288220)
Show SMILES CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)C(O)=O)c1ccc(cc1)S(N)(=O)=O |t:1|
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610892
PNG
(CHEMBL5269512)
Show SMILES CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:1|
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Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50608697
PNG
(CHEMBL5270605)
Show SMILES NC1=NN(C(=N)\C1=N/Nc1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |t:1|
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More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50610885
PNG
(CHEMBL5276771)
Show SMILES COc1cccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)c1
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More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610892
PNG
(CHEMBL5269512)
Show SMILES CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:1|
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50610887
PNG
(CHEMBL5271224)
Show SMILES COc1cc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc(OC)c1OC
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50608696
PNG
(CHEMBL5268949)
Show SMILES Cc1ccc(N\N=C2\C(N)=NN(C2=N)c2ccc(cc2)S(N)(=O)=O)cc1 |c:9|
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50610886
PNG
(CHEMBL5274509)
Show SMILES COc1ccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc1OC
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610891
PNG
(CHEMBL5198267)
Show SMILES CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1C(O)=O |t:1|
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610890
PNG
(CHEMBL5288220)
Show SMILES CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)C(O)=O)c1ccc(cc1)S(N)(=O)=O |t:1|
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Citation and Details
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50467198
PNG
(CHEMBL4287064)
Show SMILES COc1ccc(cc1)-c1nc(sc1C(=O)c1ccccc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N2O2S/c1-33-25-19-17-21(18-20-25)26-28(27(32)22-11-5-2-6-12-22)34-29(30-26)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50610889
PNG
(CHEMBL5272130)
Show SMILES NC1=NN(C(=N)\C1=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:1|
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Citation and Details
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555919
PNG
(CHEMBL4783791)
Show SMILES CCCCCc1cc(O)cc(OC)c1O
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Ligand-Target Pair
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