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13 similar compounds to monomer 50167072

Wt: 327.4
BDBM50167086
Wt: 333.1
BDBM50167084
Wt: 344.3
BDBM50167085
Wt: 319.3
BDBM50167064
Wt: 488.5
BDBM50167067
Wt: 213.3
BDBM50167070
Wt: 406.4
BDBM50167073
Wt: 282.2
BDBM50167078
Wt: 264.2
BDBM50167080
Wt: 242.2
BDBM50167075
Wt: 264.2
BDBM50167077
Wt: 265.2
BDBM50167082

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50167086,50167084,50167085,50167064,50167067,50167070,50167073,50167078,50167080,50167075,50167077,50167082   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167073
PNG
(CHEMBL3798017)
Show SMILES COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/s2
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0.880n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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23n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50167073
PNG
(CHEMBL3798017)
Show SMILES COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/s2
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26n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50167070
PNG
(CHEMBL3799986)
Show SMILES CCCN[C@@H]1CCC2N=C(N)SC2C1
Show InChI InChI=1/C10H19N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7-9,12H,2-6H2,1H3,(H2,11,13)/t7-,8?,9?/s2
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60n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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97n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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160n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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300n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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300n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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430n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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640n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D3 & D4


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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790n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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890n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D3 & D4


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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2.20E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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2.30E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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2.90E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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6.80E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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9.20E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167070
PNG
(CHEMBL3799986)
Show SMILES CCCN[C@@H]1CCC2N=C(N)SC2C1
Show InChI InChI=1/C10H19N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7-9,12H,2-6H2,1H3,(H2,11,13)/t7-,8?,9?/s2
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1.00E+5n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50167086
PNG
(CHEMBL3798212)
Show SMILES CC(C)(C)c1nc(cs1)-c1ccnc(c1)-n1ccc(=O)c(O)c1
Show InChI InChI=1S/C17H17N3O2S/c1-17(2,3)16-19-12(10-23-16)11-4-6-18-15(8-11)20-7-5-13(21)14(22)9-20/h4-10,22H,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat C-terminal His10-tagged MB-COMT transfected in Escherichia coli BL21-CodonPlus(DE3)-RIPL using SAM/dopamine as substrat...


Citation and Details
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50167085
PNG
(CHEMBL3799623)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H16N4O2/c25-18-7-9-23(14-19(18)26)20-10-16(6-8-21-20)17-11-22-24(13-17)12-15-4-2-1-3-5-15/h1-11,13-14,26H,12H2
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n/an/a 28n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat C-terminal His10-tagged MB-COMT transfected in Escherichia coli BL21-CodonPlus(DE3)-RIPL using SAM/dopamine as substrat...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167082
PNG
(CHEMBL3797901)
Show SMILES Oc1cn(ccc1=O)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C15H11N3O2/c19-12-7-9-18(10-13(12)20)14-6-8-16-15(17-14)11-4-2-1-3-5-11/h1-10,20H
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n/an/a 706n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167080
PNG
(CHEMBL3798286)
Show SMILES Oc1cn(ccc1=O)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-7-9-18(11-16(15)20)13-6-8-17-14(10-13)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 456n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167075
PNG
(CHEMBL3799278)
Show SMILES Cc1cn2nc(ccc2n1)-n1ccc(=O)c(O)c1
Show InChI InChI=1S/C12H10N4O2/c1-8-6-16-11(13-8)2-3-12(14-16)15-5-4-9(17)10(18)7-15/h2-7,18H,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167077
PNG
(CHEMBL3797649)
Show SMILES Oc1cn(ccc1=O)-c1ncccc1-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-8-10-18(11-15(14)20)16-13(7-4-9-17-16)12-5-2-1-3-6-12/h1-11,20H
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n/an/a>5.00E+3n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167078
PNG
(CHEMBL3800198)
Show SMILES Oc1cn(ccc1=O)-c1nccc(c1F)-c1ccccc1
Show InChI InChI=1S/C16H11FN2O2/c17-15-12(11-4-2-1-3-5-11)6-8-18-16(15)19-9-7-13(20)14(21)10-19/h1-10,21H
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n/an/a 55n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167086
PNG
(CHEMBL3798212)
Show SMILES CC(C)(C)c1nc(cs1)-c1ccnc(c1)-n1ccc(=O)c(O)c1
Show InChI InChI=1S/C17H17N3O2S/c1-17(2,3)16-19-12(10-23-16)11-4-6-18-15(8-11)20-7-5-13(21)14(22)9-20/h4-10,22H,1-3H3
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n/an/a 101n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167085
PNG
(CHEMBL3799623)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H16N4O2/c25-18-7-9-23(14-19(18)26)20-10-16(6-8-21-20)17-11-22-24(13-17)12-15-4-2-1-3-5-15/h1-11,13-14,26H,12H2
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n/an/a 50n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167084
PNG
(CHEMBL3798524)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2O2/c17-12-2-1-10(7-13(12)18)11-3-5-19-16(8-11)20-6-4-14(21)15(22)9-20/h1-9,22H
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n/an/a 35n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167082
PNG
(CHEMBL3797901)
Show SMILES Oc1cn(ccc1=O)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C15H11N3O2/c19-12-7-9-18(10-13(12)20)14-6-8-16-15(17-14)11-4-2-1-3-5-11/h1-10,20H
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n/an/a 2.05E+3n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167080
PNG
(CHEMBL3798286)
Show SMILES Oc1cn(ccc1=O)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-7-9-18(11-16(15)20)13-6-8-17-14(10-13)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 2.33E+3n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167078
PNG
(CHEMBL3800198)
Show SMILES Oc1cn(ccc1=O)-c1nccc(c1F)-c1ccccc1
Show InChI InChI=1S/C16H11FN2O2/c17-15-12(11-4-2-1-3-5-11)6-8-18-16(15)19-9-7-13(20)14(21)10-19/h1-10,21H
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n/an/a 946n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167077
PNG
(CHEMBL3797649)
Show SMILES Oc1cn(ccc1=O)-c1ncccc1-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-8-10-18(11-15(14)20)16-13(7-4-9-17-16)12-5-2-1-3-6-12/h1-11,20H
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n/an/a>5.00E+3n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167075
PNG
(CHEMBL3799278)
Show SMILES Cc1cn2nc(ccc2n1)-n1ccc(=O)c(O)c1
Show InChI InChI=1S/C12H10N4O2/c1-8-6-16-11(13-8)2-3-12(14-16)15-5-4-9(17)10(18)7-15/h2-7,18H,1H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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n/an/an/an/a 120n/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 receptor expressed in HEK293 cells cotransfected with Gqs5 protein assessed as [3H]IP3 accumulation after 120 mins by...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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n/an/an/an/a 840n/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 receptor expressed in HEK293 cells cotransfected with Gqs5 protein assessed as [3H]IP3 accumulation after 120 mins by...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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n/an/an/an/a 210n/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Agonist activity at PK-tagged beta2 receptor (unknown origin) transfected in HEK293 cells after 90 mins by beta-arrestin assay


Citation and Details
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50167084
PNG
(CHEMBL3798524)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2O2/c17-12-2-1-10(7-13(12)18)11-3-5-19-16(8-11)20-6-4-14(21)15(22)9-20/h1-9,22H
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n/an/a 27n/an/an/an/an/an/a



Medicinal Chemistry, Merck& Co., Inc., West Point, PA, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat C-terminal His10-tagged MB-COMT transfected in Escherichia coli BL21-CodonPlus(DE3)-RIPL using SAM/dopamine as substrat...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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n/an/an/an/a 170n/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Agonist activity at human D2S receptor expressed in HEK293 cells cotransfected with Gqi5 protein assessed as [3H]IP3 accumulation after 120 mins by s...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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n/an/an/an/a 510n/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Agonist activity at PK-tagged beta2 receptor (unknown origin) transfected in HEK293 cells after 90 mins by beta-arrestin assay


Citation and Details
More data for this
Ligand-Target Pair