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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'flaim' and Initial = 'ke'   
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
D(1A) dopamine receptor


(RAT)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)
BDBM50025202
PNG
(9-Aminomethyl-9H-fluorene-2,5,6-triol | CHEMBL5767...)
Show SMILES NCC1c2cc(O)ccc2-c2c1ccc(O)c2O
Show InChI InChI=1S/C14H13NO3/c15-6-11-9-3-4-12(17)14(18)13(9)8-2-1-7(16)5-10(8)11/h1-5,11,16-18H,6,15H2
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014968
PNG
(1-(4-Hydroxy-benzyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)
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55n/an/an/an/an/an/a4.5n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5


J Med Chem 29: 2465-72 (1987)


BindingDB Entry DOI: 10.7270/Q2BR8R5P
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025206
PNG
((6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES C[NH+](C)C1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C12H17NO2/c1-13(2)10-4-3-8-6-11(14)12(15)7-9(8)5-10/h6-7,10,14-15H,3-5H2,1-2H3/p+1
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57n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50000439
PNG
(5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...)
Show SMILES CCCCc1ccc(nc1)C(O)=O
Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
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149n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5


J Med Chem 29: 2465-72 (1987)


BindingDB Entry DOI: 10.7270/Q2BR8R5P
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(BOVINE)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50025206
PNG
((6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES C[NH+](C)C1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C12H17NO2/c1-13(2)10-4-3-8-6-11(14)12(15)7-9(8)5-10/h6-7,10,14-15H,3-5H2,1-2H3/p+1
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255n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014968
PNG
(1-(4-Hydroxy-benzyl)-1,3-dihydro-imidazole-2-thion...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1
Show InChI InChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)
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344n/an/an/an/an/an/a6.6n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6


J Med Chem 29: 2465-72 (1987)


BindingDB Entry DOI: 10.7270/Q2BR8R5P
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025201
PNG
(9-Aminomethyl-9H-fluorene-3,4-diol | CHEMBL55693)
Show SMILES NCC1c2ccccc2-c2c1ccc(O)c2O
Show InChI InChI=1S/C14H13NO2/c15-7-11-8-3-1-2-4-9(8)13-10(11)5-6-12(16)14(13)17/h1-6,11,16-17H,7,15H2
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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025208
PNG
(6-Chloro-9-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1c(O)c(c2CCNCCc2c1Cl)-c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-14-12-7-9-18-8-6-11(12)13(15(19)16(14)20)10-4-2-1-3-5-10/h1-5,18-20H,6-9H2
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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790n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50004821
PNG
(2,3,4,5-Tetrahydro-1H-benzo[d]azepine-7,8-diol | C...)
Show SMILES Oc1cc2CCNCCc2cc1O
Show InChI InChI=1S/C10H13NO2/c12-9-5-7-1-3-11-4-2-8(7)6-10(9)13/h5-6,11-13H,1-4H2
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970n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against dDopamine receptor D1 using [3H]fenoldopam as a radioligand


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025204
PNG
(6-(2-Amino-ethyl)-biphenyl-2,3-diol | CHEMBL299511)
Show SMILES NCCc1ccc(O)c(O)c1-c1ccccc1
Show InChI InChI=1S/C14H15NO2/c15-9-8-11-6-7-12(16)14(17)13(11)10-4-2-1-3-5-10/h1-7,16-17H,8-9,15H2
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025209
PNG
(6-Chloro-9-(4-hydroxy-phenyl)-2,3,4,5-tetrahydro-1...)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(Cl)c2CCNCCc12
Show InChI InChI=1S/C16H16ClNO3/c17-14-12-6-8-18-7-5-11(12)13(15(20)16(14)21)9-1-3-10(19)4-2-9/h1-4,18-21H,5-8H2
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1.63E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025207
PNG
(6-(2-Amino-ethyl)-biphenyl-2,3,4'-triol | CHEMBL57...)
Show SMILES NCCc1ccc(O)c(O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C14H15NO3/c15-8-7-10-3-6-12(17)14(18)13(10)9-1-4-11(16)5-2-9/h1-6,16-18H,7-8,15H2
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1.65E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025203
PNG
(6-(2-Dipropylamino-ethyl)-biphenyl-2,3,4'-triol | ...)
Show SMILES CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C20H27NO3/c1-3-12-21(13-4-2)14-11-16-7-10-18(23)20(24)19(16)15-5-8-17(22)9-6-15/h5-10,22-24H,3-4,11-14H2,1-2H3
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1.74E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025210
PNG
(6-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8...)
Show SMILES Oc1cc2CCNCCc2c(c1O)-c1ccccc1
Show InChI InChI=1S/C16H17NO2/c18-14-10-12-6-8-17-9-7-13(12)15(16(14)19)11-4-2-1-3-5-11/h1-5,10,17-19H,6-9H2
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1.79E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50025203
PNG
(6-(2-Dipropylamino-ethyl)-biphenyl-2,3,4'-triol | ...)
Show SMILES CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C20H27NO3/c1-3-12-21(13-4-2)14-11-16-7-10-18(23)20(24)19(16)15-5-8-17(22)9-6-15/h5-10,22-24H,3-4,11-14H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025205
PNG
(6-(2-Dipropylamino-ethyl)-biphenyl-2,3-diol | CHEM...)
Show SMILES CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccccc1
Show InChI InChI=1S/C20H27NO2/c1-3-13-21(14-4-2)15-12-17-10-11-18(22)20(23)19(17)16-8-6-5-7-9-16/h5-11,22-23H,3-4,12-15H2,1-2H3
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1.94E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
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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2.35E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50025211
PNG
(6-(4-Hydroxy-phenyl)-2,3,4,5-tetrahydro-1H-benzo[d...)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)cc2CCNCCc12
Show InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)15-13-6-8-17-7-5-11(13)9-14(19)16(15)20/h1-4,9,17-20H,5-8H2
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>3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50025202
PNG
(9-Aminomethyl-9H-fluorene-2,5,6-triol | CHEMBL5767...)
Show SMILES NCC1c2cc(O)ccc2-c2c1ccc(O)c2O
Show InChI InChI=1S/C14H13NO3/c15-6-11-9-3-4-12(17)14(18)13(9)8-2-1-7(16)5-10(8)11/h1-5,11,16-18H,6,15H2
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5.74E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2


J Med Chem 29: 1904-12 (1986)


BindingDB Entry DOI: 10.7270/Q2TQ623R
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50241361
PNG
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)
Show SMILES Cn1cc[nH]c1=S
Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
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4.50E+4n/an/an/an/an/an/a4.5n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6


J Med Chem 29: 2465-72 (1987)


BindingDB Entry DOI: 10.7270/Q2BR8R5P
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50241361
PNG
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)
Show SMILES Cn1cc[nH]c1=S
Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
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7.16E+5n/an/an/an/an/an/a6.6n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5


J Med Chem 29: 2465-72 (1987)


BindingDB Entry DOI: 10.7270/Q2BR8R5P
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014970
PNG
(4-(3,5-Difluoro-4-hydroxy-benzyl)-2,4-dihydro-[1,2...)
Show SMILES Oc1c(F)cc(Cn2cn[nH]c2=S)cc1F
Show InChI InChI=1S/C9H7F2N3OS/c10-6-1-5(2-7(11)8(6)15)3-14-4-12-13-9(14)16/h1-2,4,15H,3H2,(H,13,16)
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n/an/a 35n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020682
PNG
(7-(2-Dipropylamino-ethyl)-4-hydroxy-3H-benzothiazo...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C15H22N2O2S/c1-3-8-17(9-4-2)10-7-11-5-6-12(18)13-14(11)20-15(19)16-13/h5-6,18H,3-4,7-10H2,1-2H3,(H,16,19)
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n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014978
PNG
(1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...)
Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)
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n/an/a 74n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.060-0.0877).


J Med Chem 30: 486-94 (1987)


BindingDB Entry DOI: 10.7270/Q2FJ2FSM
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014978
PNG
(1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...)
Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)
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n/an/a 74n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50019393
PNG
(4-(2-Dipropylamino-ethyl)-7-hydroxy-1,3-dihydro-in...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O2/c1-3-8-18(9-4-2)10-7-12-5-6-14(19)16-13(12)11-15(20)17-16/h5-6,19H,3-4,7-11H2,1-2H3,(H,17,20)
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n/an/a 530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020677
PNG
(4-(2-Dipropylamino-ethyl)-7-hydroxy-1H-indole-2,3-...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2NC(=O)C(=O)c12
Show InChI InChI=1S/C16H22N2O3/c1-3-8-18(9-4-2)10-7-11-5-6-12(19)14-13(11)15(20)16(21)17-14/h5-6,19H,3-4,7-10H2,1-2H3,(H,17,20,21)
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n/an/a 560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014963
PNG
(1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-benz...)
Show SMILES Oc1c(F)cc(Cn2c3ccccc3[nH]c2=S)cc1F
Show InChI InChI=1S/C14H10F2N2OS/c15-9-5-8(6-10(16)13(9)19)7-18-12-4-2-1-3-11(12)17-14(18)20/h1-6,19H,7H2,(H,17,20)
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n/an/a 660n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50025811
PNG
(1-(3,5-Dichloro-4-hydroxy-benzyl)-1,3-dihydro-imid...)
Show SMILES Oc1c(Cl)cc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C10H8Cl2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)
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n/an/a 680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.42-1.1).


J Med Chem 30: 486-94 (1987)


BindingDB Entry DOI: 10.7270/Q2FJ2FSM
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Rattus norvegicus)
BDBM50000439
PNG
(5-Butyl-pyridine-2-carboxylic acid | 5-Butyl-pyrid...)
Show SMILES CCCCc1ccc(nc1)C(O)=O
Show InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 0.4-1.1


J Med Chem 30: 1309-13 (1987)


BindingDB Entry DOI: 10.7270/Q2MC8Z0M
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014984
PNG
(4-(3,5-Difluoro-benzyl)-2,4-dihydro-[1,2,4]triazol...)
Show SMILES Fc1cc(F)cc(Cn2cn[nH]c2=S)c1
Show InChI InChI=1S/C9H7F2N3S/c10-7-1-6(2-8(11)3-7)4-14-5-12-13-9(14)15/h1-3,5H,4H2,(H,13,15)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020684
PNG
(4-(2-Dipropylamino-ethyl)-7-hydroxy-1,3-dihydro-be...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C15H23N3O2/c1-3-8-18(9-4-2)10-7-11-5-6-12(19)14-13(11)16-15(20)17-14/h5-6,19H,3-4,7-10H2,1-2H3,(H2,16,17,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020678
PNG
(7-(2-Dipropylamino-ethyl)-3H-benzothiazol-2-one | ...)
Show SMILES CCCN(CCC)CCc1cccc2[nH]c(=O)sc12
Show InChI InChI=1S/C15H22N2OS/c1-3-9-17(10-4-2)11-8-12-6-5-7-13-14(12)19-15(18)16-13/h5-7H,3-4,8-11H2,1-2H3,(H,16,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014983
PNG
(1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020685
PNG
(7-(2-Dipropylamino-ethyl)-4-hydroxy-3H-benzooxazol...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2[nH]c(=O)oc12
Show InChI InChI=1S/C15H22N2O3/c1-3-8-17(9-4-2)10-7-11-5-6-12(18)13-14(11)20-15(19)16-13/h5-6,18H,3-4,7-10H2,1-2H3,(H,16,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Rattus norvegicus)
BDBM50014983
PNG
(1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 1.1-1.4


J Med Chem 30: 1309-13 (1987)


BindingDB Entry DOI: 10.7270/Q2MC8Z0M
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014983
PNG
(1-(3,5-Difluoro-benzyl)-1,3-dihydro-imidazole-2-th...)
Show SMILES Fc1cc(F)cc(Cn2cc[nH]c2=S)c1
Show InChI InChI=1S/C10H8F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h1-5H,6H2,(H,13,15)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.0-1.9)


J Med Chem 30: 486-94 (1987)


BindingDB Entry DOI: 10.7270/Q2FJ2FSM
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014971
PNG
(1-(3,5-Difluoro-benzyl)-imidazolidine-2-thione | C...)
Show SMILES Fc1cc(F)cc(CN2CCNC2=S)c1
Show InChI InChI=1S/C10H10F2N2S/c11-8-3-7(4-9(12)5-8)6-14-2-1-13-10(14)15/h3-5H,1-2,6H2,(H,13,15)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50025795
PNG
(1-(3-Fluoro-4-hydroxy-benzyl)-1,3-dihydro-imidazol...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1F
Show InChI InChI=1S/C10H9FN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.9-2.2)


J Med Chem 30: 486-94 (1987)


BindingDB Entry DOI: 10.7270/Q2FJ2FSM
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014967
PNG
(1-(3,5-Difluoro-benzyl)-1H-tetrazole-5-thiol | CHE...)
Show SMILES Fc1cc(F)cc(Cn2nn[nH]c2=S)c1
Show InChI InChI=1S/C8H6F2N4S/c9-6-1-5(2-7(10)3-6)4-14-8(15)11-12-13-14/h1-3H,4H2,(H,11,13,15)
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n/an/a 1.54E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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n/an/a 1.58E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50014979
PNG
(4-(3-Fluoro-benzyl)-2,4-dihydro-[1,2,4]triazole-3-...)
Show SMILES Fc1cccc(Cn2cn[nH]c2=S)c1
Show InChI InChI=1S/C9H8FN3S/c10-8-3-1-2-7(4-8)5-13-6-11-12-9(13)14/h1-4,6H,5H2,(H,12,14)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)


J Med Chem 33: 781-9 (1990)


BindingDB Entry DOI: 10.7270/Q2DZ078G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020679
PNG
(7-(2-Amino-ethyl)-4-hydroxy-3H-benzothiazol-2-one ...)
Show SMILES NCCc1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C9H10N2O2S/c10-4-3-5-1-2-6(12)7-8(5)14-9(13)11-7/h1-2,12H,3-4,10H2,(H,11,13)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50025806
PNG
(1-(3-Chloro-4-hydroxy-benzyl)-1,3-dihydro-imidazol...)
Show SMILES Oc1ccc(Cn2cc[nH]c2=S)cc1Cl
Show InChI InChI=1S/C10H9ClN2OS/c11-8-5-7(1-2-9(8)14)6-13-4-3-12-10(13)15/h1-5,14H,6H2,(H,12,15)
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UniChem

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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.7-2.4)


J Med Chem 30: 486-94 (1987)


BindingDB Entry DOI: 10.7270/Q2FJ2FSM
More data for this
Ligand-Target Pair
Dopamine beta-hydroxylase


(Bos taurus)
BDBM50025798
PNG
(1-[3-(3,5-Dichloro-phenyl)-propyl]-1,3-dihydro-imi...)
Show SMILES Clc1cc(Cl)cc(CCCn2cc[nH]c2=S)c1
Show InChI InChI=1S/C12H12Cl2N2S/c13-10-6-9(7-11(14)8-10)2-1-4-16-5-3-15-12(16)17/h3,5-8H,1-2,4H2,(H,15,17)
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UniChem

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



TBA

Curated by ChEMBL


Assay Description
Percent inhibition against bovine Dopamine beta hydroxylase at 10E-4 M concentration of the compound; Range is between (1.8-2.6).


J Med Chem 30: 486-94 (1987)


BindingDB Entry DOI: 10.7270/Q2FJ2FSM
More data for this
Ligand-Target Pair
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