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Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'akazawa' and Initial = 'm'   
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
Adrenaline alpha2


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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4.70E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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6.90E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM50028893
PNG
(4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutana...)
Show SMILES CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
Show InChI InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
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3.00E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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3.60E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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4.70E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50028893
PNG
(4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutana...)
Show SMILES CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
Show InChI InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
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6.20E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1.41E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1.71E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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2.42E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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3.47E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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3.90E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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6.03E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM50373877
PNG
(Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
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6.46E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50373877
PNG
(Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...)
Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
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7.36E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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1.19E+6n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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1.60E+6n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028756
PNG
(2-Methyl-3-(4-pyridin-3-ylmethyl-phenyl)-acrylic a...)
Show SMILES C\C(=C\c1ccc(Cc2cccnc2)cc1)C(O)=O
Show InChI InChI=1S/C16H15NO2/c1-12(16(18)19)9-13-4-6-14(7-5-13)10-15-3-2-8-17-11-15/h2-9,11H,10H2,1H3,(H,18,19)/b12-9-
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028719
PNG
((2E)-3-[3-(1H-imidazol-1-ylmethyl)phenyl]-2-methyl...)
Show SMILES C\C(=C/c1cccc(Cn2ccnc2)c1)C(O)=O
Show InChI InChI=1S/C14H14N2O2/c1-11(14(17)18)7-12-3-2-4-13(8-12)9-16-6-5-15-10-16/h2-8,10H,9H2,1H3,(H,17,18)/b11-7+
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028764
PNG
(3-(4-Imidazol-1-ylmethyl-phenyl)-2-methyl-acrylic ...)
Show SMILES C\C(=C/c1ccc(Cn2ccnc2)cc1)C(O)=O
Show InChI InChI=1S/C14H14N2O2/c1-11(14(17)18)8-12-2-4-13(5-3-12)9-16-7-6-15-10-16/h2-8,10H,9H2,1H3,(H,17,18)/b11-8+
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028761
PNG
(2-Bromo-3-(4-pyridin-3-ylmethyl-phenyl)-acrylic ac...)
Show SMILES OC(=O)C(\Br)=C\c1ccc(Cc2cccnc2)cc1
Show InChI InChI=1S/C15H12BrNO2/c16-14(15(18)19)9-12-5-3-11(4-6-12)8-13-2-1-7-17-10-13/h1-7,9-10H,8H2,(H,18,19)/b14-9-
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028737
PNG
(4-(3-Imidazol-1-yl-propyl)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(CCCn2ccnc2)cc1
Show InChI InChI=1S/C13H14N2O2/c16-13(17)12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2,(H,16,17)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028752
PNG
(2-(4-Pyridin-3-ylmethyl-benzylidene)-butyric acid;...)
Show SMILES CC\C(=C/c1ccc(Cc2cccnc2)cc1)C(O)=O
Show InChI InChI=1S/C17H17NO2/c1-2-16(17(19)20)11-14-7-5-13(6-8-14)10-15-4-3-9-18-12-15/h3-9,11-12H,2,10H2,1H3,(H,19,20)/b16-11+
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028709
PNG
(8-Imidazol-1-yl-2,2-dimethyl-oct-6-ynoic acid; hyd...)
Show SMILES CC(C)(CCCC#CCn1ccnc1)C(O)=O
Show InChI InChI=1S/C13H18N2O2/c1-13(2,12(16)17)7-5-3-4-6-9-15-10-8-14-11-15/h8,10-11H,3,5,7,9H2,1-2H3,(H,16,17)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028767
PNG
(3-(4-Pyridin-3-ylmethyl-phenyl)-acrylic acid; hydr...)
Show SMILES OC(=O)\C=C\c1ccc(Cc2cccnc2)cc1
Show InChI InChI=1S/C15H13NO2/c17-15(18)8-7-12-3-5-13(6-4-12)10-14-2-1-9-16-11-14/h1-9,11H,10H2,(H,17,18)/b8-7+
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028762
PNG
(2-Methyl-3-(5-pyridin-3-ylmethyl-thiophen-2-yl)-ac...)
Show SMILES C\C(=C/c1ccc(Cc2cccnc2)s1)C(O)=O
Show InChI InChI=1S/C14H13NO2S/c1-10(14(16)17)7-12-4-5-13(18-12)8-11-3-2-6-15-9-11/h2-7,9H,8H2,1H3,(H,16,17)/b10-7+
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028713
PNG
(8-Imidazol-1-yl-2-methylene-octanoic acid; hydroch...)
Show SMILES OC(=O)C(=C)CCCCCCn1ccnc1
Show InChI InChI=1S/C12H18N2O2/c1-11(12(15)16)6-4-2-3-5-8-14-9-7-13-10-14/h7,9-10H,1-6,8H2,(H,15,16)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028734
PNG
(8-Imidazol-1-yl-oct-2-enoic acid | CHEMBL14771)
Show SMILES OC(=O)\C=C/CCCCCn1ccnc1
Show InChI InChI=1S/C11H16N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h4,6-7,9-10H,1-3,5,8H2,(H,14,15)/b6-4-
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028760
PNG
(3-(3-Methyl-4-pyridin-3-ylmethyl-phenyl)-but-2-eno...)
Show SMILES C\C(=C/C(O)=O)c1ccc(Cc2cccnc2)c(C)c1
Show InChI InChI=1S/C17H17NO2/c1-12-8-15(13(2)9-17(19)20)5-6-16(12)10-14-4-3-7-18-11-14/h3-9,11H,10H2,1-2H3,(H,19,20)/b13-9+
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028772
PNG
(2-Methyl-3-(4-pyridin-3-ylmethyl-phenyl)-propionic...)
Show SMILES CC(Cc1ccc(Cc2cccnc2)cc1)C(O)=O
Show InChI InChI=1S/C16H17NO2/c1-12(16(18)19)9-13-4-6-14(7-5-13)10-15-3-2-8-17-11-15/h2-8,11-12H,9-10H2,1H3,(H,18,19)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028758
PNG
(2-Methyl-3-[4-(1-pyridin-3-yl-ethyl)-phenyl]-acryl...)
Show SMILES CC(c1ccc(\C=C(/C)C(O)=O)cc1)c1cccnc1
Show InChI InChI=1S/C17H17NO2/c1-12(17(19)20)10-14-5-7-15(8-6-14)13(2)16-4-3-9-18-11-16/h3-11,13H,1-2H3,(H,19,20)/b12-10+
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028707
PNG
(2-(4-Imidazol-1-ylmethyl-phenoxy)-2-methyl-propion...)
Show SMILES CC(C)(Oc1ccc(Cn2ccnc2)cc1)C(O)=O
Show InChI InChI=1S/C14H16N2O3/c1-14(2,13(17)18)19-12-5-3-11(4-6-12)9-16-8-7-15-10-16/h3-8,10H,9H2,1-2H3,(H,17,18)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028735
PNG
(2-Chloro-8-imidazol-1-yl-octanoic acid; hydrochlor...)
Show SMILES OC(=O)C(Cl)CCCCCCn1ccnc1
Show InChI InChI=1S/C11H17ClN2O2/c12-10(11(15)16)5-3-1-2-4-7-14-8-6-13-9-14/h6,8-10H,1-5,7H2,(H,15,16)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028742
PNG
(8-Imidazol-1-yl-2-methyl-octanoic acid; hydrochlor...)
Show SMILES CC(CCCCCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C12H20N2O2/c1-11(12(15)16)6-4-2-3-5-8-14-9-7-13-10-14/h7,9-11H,2-6,8H2,1H3,(H,15,16)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028741
PNG
(8-Imidazol-1-yl-oct-6-ynoic acid; hydrochloride | ...)
Show SMILES OC(=O)CCCCC#CCn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-2,4,6,8H2,(H,14,15)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028724
PNG
(8-Imidazol-1-yl-2,2-dimethyl-octanoic acid; hydroc...)
Show SMILES CC(C)(CCCCCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C13H22N2O2/c1-13(2,12(16)17)7-5-3-4-6-9-15-10-8-14-11-15/h8,10-11H,3-7,9H2,1-2H3,(H,16,17)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028720
PNG
(3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hyd...)
Show SMILES OC(=O)\C=C\c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)5-4-11-2-1-3-12(8-11)9-15-7-6-14-10-15/h1-8,10H,9H2,(H,16,17)/b5-4+
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM92497
PNG
(CHEMBL542051 | Omega-imidazolyl octanoic acid)
Show SMILES OC(=O)CCCCCCCn1ccnc1
Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM92497
PNG
(CHEMBL542051 | Omega-imidazolyl octanoic acid)
Show SMILES OC(=O)CCCCCCCn1ccnc1
Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028727
PNG
(2-(4-Imidazol-1-ylmethyl-phenoxy)-propionic acid; ...)
Show SMILES CC(Oc1ccc(Cn2ccnc2)cc1)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-10(13(16)17)18-12-4-2-11(3-5-12)8-15-7-6-14-9-15/h2-7,9-10H,8H2,1H3,(H,16,17)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028743
PNG
(8-Imidazol-1-yl-2-phenyl-octanoic acid; hydrochlor...)
Show SMILES OC(=O)C(CCCCCCn1ccnc1)c1ccccc1
Show InChI InChI=1S/C17H22N2O2/c20-17(21)16(15-8-4-3-5-9-15)10-6-1-2-7-12-19-13-11-18-14-19/h3-5,8-9,11,13-14,16H,1-2,6-7,10,12H2,(H,20,21)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028714
PNG
(7-Imidazol-1-yl-heptanoic acid; hydrochloride | CH...)
Show SMILES OC(=O)CCCCCCn1ccnc1
Show InChI InChI=1S/C10H16N2O2/c13-10(14)5-3-1-2-4-7-12-8-6-11-9-12/h6,8-9H,1-5,7H2,(H,13,14)
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028714
PNG
(7-Imidazol-1-yl-heptanoic acid; hydrochloride | CH...)
Show SMILES OC(=O)CCCCCCn1ccnc1
Show InChI InChI=1S/C10H16N2O2/c13-10(14)5-3-1-2-4-7-12-8-6-11-9-12/h6,8-9H,1-5,7H2,(H,13,14)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50025106
PNG
(CHEMBL42341 | CHEMBL544900 | [4-(2H-Imidazol-1-ylm...)
Show SMILES OC(=O)COc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)8-17-11-3-1-10(2-4-11)7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028722
PNG
(8-Imidazol-1-yl-octa-2,4-dienoic acid; hydrochlori...)
Show SMILES OC(=O)\C=C\C=C\CCCn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h1-2,4,6-7,9-10H,3,5,8H2,(H,14,15)/b2-1+,6-4+
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028729
PNG
(8-Imidazol-1-yl-oct-2-ynoic acid; hydrochloride | ...)
Show SMILES OC(=O)C#CCCCCCn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-3,5,8H2,(H,14,15)
KEGG

UniProtKB/SwissProt

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PC sid
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028718
PNG
(8-Imidazol-1-yl-octa-6,7-dienoic acid; hydrochlori...)
Show SMILES OC(=O)CCCCC=C=Cn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h3,7-10H,1-2,4,6H2,(H,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028703
PNG
(4-(3-Imidazol-1-yl-propenyl)-benzoic acid; hydroch...)
Show SMILES OC(=O)c1ccc(\C=C\Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h1-7,9-10H,8H2,(H,16,17)/b2-1+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028745
PNG
(1-(6-Imidazol-1-yl-hexyl)-cyclohexanecarboxylic ac...)
Show SMILES OC(=O)C1(CCCCCCn2ccnc2)CCCCC1
Show InChI InChI=1S/C16H26N2O2/c19-15(20)16(9-5-3-6-10-16)8-4-1-2-7-12-18-13-11-17-14-18/h11,13-14H,1-10,12H2,(H,19,20)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
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