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Compile Data Set for Download or QSAR

Found 1196 hits with Last Name = 'nielsen' and Initial = 'j'   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50395823
PNG
(CHEMBL2165205)
Show SMILES COCCN(CCOC)Cc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H26Cl2N4O2/c1-14-11-17(13-26(7-9-28-3)8-10-29-4)27-21(24-14)20(15(2)25-27)18-6-5-16(22)12-19(18)23/h5-6,11-12H,7-10,13H2,1-4H3
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to CRFR1 by autoradiography


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152162
PNG
(CHEMBL188844 | CHEMBL2165204 | [3-(6-Dimethylamino...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1)N(C)C
Show InChI InChI=1S/C21H30N6/c1-7-11-26(12-8-2)19-13-15(3)23-21-20(16(4)24-27(19)21)17-9-10-18(22-14-17)25(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to CRFR1 by autoradiography


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86192
PNG
(CAS_197801-88-0 | CHEMBL2165203 | SN003)
Show SMILES CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12
Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to CRFR1 by autoradiography


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50395822
PNG
(CHEMBL1762817)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl
Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CRF1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 2052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.009
BindingDB Entry DOI: 10.7270/Q2DR2WW3
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50395822
PNG
(CHEMBL1762817)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl
Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to CRFR1 by autoradiography


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442766
PNG
(CHEMBL2443358)
Show SMILES COCO[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C19H20BrN3O2/c1-24-14-25-19(16-5-3-2-4-6-16)18(13-23-12-11-21-22-23)15-7-9-17(20)10-8-15/h2-12,18-19H,13-14H2,1H3/t18-,19+/m1/s1
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20n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442776
PNG
(CHEMBL2443348)
Show SMILES COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H20BrN3O2/c1-24-14-25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13-14H2,1H3/t18-,19-/m0/s1
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20n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442767
PNG
(CHEMBL2443357)
Show SMILES COCO[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H20BrN3O2/c1-24-14-25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13-14H2,1H3/t18-,19+/m1/s1
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70n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442777
PNG
(CHEMBL2443365)
Show SMILES COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2/c1-24-14-25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13-14H2,1H3/t18-,19-/m0/s1
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80n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442770
PNG
(CHEMBL2443354)
Show SMILES CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H18BrN3O2/c1-14(24)25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3/t18-,19-/m0/s1
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90n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442771
PNG
(CHEMBL2443353)
Show SMILES CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O2/c1-14(24)25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3/t18-,19-/m0/s1
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110n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442775
PNG
(CHEMBL2443349)
Show SMILES COCO[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C19H20BrN3O2/c1-24-14-25-19(16-5-3-2-4-6-16)18(13-23-12-11-21-22-23)15-7-9-17(20)10-8-15/h2-12,18-19H,13-14H2,1H3/t18-,19-/m0/s1
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111n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442764
PNG
(CHEMBL2443360)
Show SMILES O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C17H16BrN3O/c18-15-8-6-14(7-9-15)17(22)16(12-21-11-10-19-20-21)13-4-2-1-3-5-13/h1-11,16-17,22H,12H2/t16-,17+/m1/s1
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130n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442768
PNG
(CHEMBL2443356)
Show SMILES COCO[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2/c1-24-14-25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13-14H2,1H3/t18-,19+/m1/s1
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160n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442773
PNG
(CHEMBL2443351)
Show SMILES O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C17H16BrN3O/c18-15-8-6-14(7-9-15)17(22)16(12-21-11-10-19-20-21)13-4-2-1-3-5-13/h1-11,16-17,22H,12H2/t16-,17-/m0/s1
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170n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442765
PNG
(CHEMBL2443359)
Show SMILES O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FN3O/c18-15-8-6-14(7-9-15)17(22)16(12-21-11-10-19-20-21)13-4-2-1-3-5-13/h1-11,16-17,22H,12H2/t16-,17+/m1/s1
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200n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442769
PNG
(CHEMBL2443355)
Show SMILES CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C19H18BrN3O2/c1-14(24)25-19(16-5-3-2-4-6-16)18(13-23-12-11-21-22-23)15-7-9-17(20)10-8-15/h2-12,18-19H,13H2,1H3/t18-,19-/m0/s1
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237n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442774
PNG
(CHEMBL2443350)
Show SMILES O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FN3O/c18-15-8-6-14(7-9-15)17(22)16(12-21-11-10-19-20-21)13-4-2-1-3-5-13/h1-11,16-17,22H,12H2/t16-,17-/m0/s1
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330n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442762
PNG
(CHEMBL2443362)
Show SMILES CC(=O)O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O2/c1-14(24)25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3/t18-,19+/m1/s1
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350n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442761
PNG
(CHEMBL2443364)
Show SMILES CC(=O)O[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C19H18BrN3O2/c1-14(24)25-19(16-5-3-2-4-6-16)18(13-23-12-11-21-22-23)15-7-9-17(20)10-8-15/h2-12,18-19H,13H2,1H3/t18-,19+/m1/s1
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647n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442772
PNG
(CHEMBL2443352)
Show SMILES O[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C17H16BrN3O/c18-15-8-6-13(7-9-15)16(12-21-11-10-19-20-21)17(22)14-4-2-1-3-5-14/h1-11,16-17,22H,12H2/t16-,17-/m0/s1
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820n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50442763
PNG
(CHEMBL2443361)
Show SMILES O[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C17H16BrN3O/c18-15-8-6-13(7-9-15)16(12-21-11-10-19-20-21)17(22)14-4-2-1-3-5-14/h1-11,16-17,22H,12H2/t16-,17+/m1/s1
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841n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay


Bioorg Med Chem Lett 23: 6060-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.030
BindingDB Entry DOI: 10.7270/Q2QJ7JQB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127925
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5cc(F)ccc5-c4n3)nn12
Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-17(24-26(11)18)6-4-15-10-25-9-13-7-14(20)3-5-16(13)19(25)22-15/h3,5,7-8,10H,4,6,9H2,1-2H3
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n/an/a 0.180n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50334652
PNG
(3-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)p...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2cc3ccccc3cn2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-24(18-10-12-26-13-11-18)25(28-29)19-6-8-23(9-7-19)30-17-22-14-20-4-2-3-5-21(20)15-27-22/h2-16H,17H2,1H3
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n/an/a 0.180n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem 19: 642-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R73
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127925
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5cc(F)ccc5-c4n3)nn12
Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-17(24-26(11)18)6-4-15-10-25-9-13-7-14(20)3-5-16(13)19(25)22-15/h3,5,7-8,10H,4,6,9H2,1-2H3
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n/an/a 0.180n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8796304 (2014)


BindingDB Entry DOI: 10.7270/Q2FN14WW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50443803
PNG
(CHEMBL3094250)
Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C26H41N7O3/c27-22-30-26(31-23-11-14-28-15-12-23)29-13-7-2-1-6-10-25(34)33(24-8-4-3-5-9-24)36-21-18-32-16-19-35-20-17-32/h11-12,14-15,24H,1-10,13,16-21H2,(H2,28,29,30,31)
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n/an/a 0.200n/an/an/an/an/an/a



Topotarget A/S

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...


J Med Chem 56: 9071-88 (2013)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 0.240n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method


J Med Chem 61: 10440-10462 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293912
PNG
((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...)
Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gamma counter


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM142416
PNG
(US8927738, 2-[2-(2-Furan-3-yl-1H-imidazol-4-yl)-et...)
Show SMILES Cc1cnc(C)c2nc(CCc3c[nH]c(n3)-c3ccoc3)nn12
Show InChI InChI=1S/C16H16N6O/c1-10-7-17-11(2)16-20-14(21-22(10)16)4-3-13-8-18-15(19-13)12-5-6-23-9-12/h5-9H,3-4H2,1-2H3,(H,18,19)
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n/an/a 0.270n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8927738 (2015)


BindingDB Entry DOI: 10.7270/Q2183571
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127929
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1ccc-2c(Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc-23)c1
Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-18(24-26(12)19)7-4-15-11-25-10-14-8-16(27-3)5-6-17(14)20(25)22-15/h5-6,8-9,11H,4,7,10H2,1-3H3
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n/an/a 0.290n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8796304 (2014)


BindingDB Entry DOI: 10.7270/Q2FN14WW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127929
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1ccc-2c(Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc-23)c1
Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-18(24-26(12)19)7-4-15-11-25-10-14-8-16(27-3)5-6-17(14)20(25)22-15/h5-6,8-9,11H,4,7,10H2,1-3H3
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n/an/a 0.290n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50443800
PNG
(CHEMBL3094255)
Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C25H41N7O4S/c26-22-29-25(30-23-10-13-27-14-11-23)28-12-6-1-2-7-21-37(33,34)32(24-8-4-3-5-9-24)36-20-17-31-15-18-35-19-16-31/h10-11,13-14,24H,1-9,12,15-21H2,(H2,27,28,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



Topotarget A/S

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...


J Med Chem 56: 9071-88 (2013)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50398017
PNG
(CHEMBL2180411 | US9018217, 5,8-Dimethyl-2-[2-(1-me...)
Show SMILES Cc1ccc(C)n2nc(CCc3nc(cn3C)-c3ccccc3)nc12
Show InChI InChI=1S/C20H21N5/c1-14-9-10-15(2)25-20(14)22-18(23-25)11-12-19-21-17(13-24(19)3)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3
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n/an/a 0.320n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9592230 (2017)


Article DOI: 10.1021/jm020319p
BindingDB Entry DOI: 10.7270/Q2CV4KSH
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50398017
PNG
(CHEMBL2180411 | US9018217, 5,8-Dimethyl-2-[2-(1-me...)
Show SMILES Cc1ccc(C)n2nc(CCc3nc(cn3C)-c3ccccc3)nc12
Show InChI InChI=1S/C20H21N5/c1-14-9-10-15(2)25-20(14)22-18(23-25)11-12-19-21-17(13-24(19)3)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3
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n/an/a 0.320n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9018217 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DS1
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173175
PNG
(US9096589, 8-Methoxy-5-methyl-2-{2-[1-(2-morpholin...)
Show SMILES COc1ccc(C)n2nc(CCc3nc(cn3CCN3CCOCC3)-c3cccs3)nc12
Show InChI InChI=1S/C23H28N6O2S/c1-17-5-6-19(30-2)23-25-21(26-29(17)23)7-8-22-24-18(20-4-3-15-32-20)16-28(22)10-9-27-11-13-31-14-12-27/h3-6,15-16H,7-14H2,1-2H3
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n/an/a 0.330n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM164395
PNG
(US9669029, 98 8-Methoxy-5-methyl-2-{2-[1-(2-morpho...)
Show SMILES COC1=CC=C(C)N2N=C(CCc3nc(cn3CCN3CCOCC3)-c3cccs3)NC12
Show InChI InChI=1S/C23H30N6O2S/c1-17-5-6-19(30-2)23-25-21(26-29(17)23)7-8-22-24-18(20-4-3-15-32-20)16-28(22)10-9-27-11-13-31-14-12-27/h3-6,15-16,23H,7-14H2,1-2H3,(H,25,26)
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n/an/a 0.330n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM142410
PNG
(US8927738, 5,8-Dimethyl-2-[2-(2-thiophen-2-yl-1H-i...)
Show SMILES Cc1ccc(C)n2nc(CCc3c[nH]c(n3)-c3cccs3)nc12
Show InChI InChI=1S/C17H17N5S/c1-11-5-6-12(2)22-17(11)20-15(21-22)8-7-13-10-18-16(19-13)14-4-3-9-23-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
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n/an/a 0.340n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8927738 (2015)


BindingDB Entry DOI: 10.7270/Q2183571
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173179
PNG
(US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-...)
Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3C)-c3cccs3)nn12
Show InChI InChI=1S/C17H18N6S/c1-11-9-18-12(2)17-20-15(21-23(11)17)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3
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n/an/a 0.390n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM164399
PNG
(US9669029, 102 5,8-Dimethyl-2-[2-(1-methyl-4-thiop...)
Show SMILES CC1=CN=C(C)C2NC(CCc3nc(cn3C)-c3ccco3)=NN12
Show InChI InChI=1S/C17H20N6O/c1-11-9-18-12(2)17-20-15(21-23(11)17)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10,17H,6-7H2,1-3H3,(H,20,21)
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n/an/a 0.390n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 0.390n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM142414
PNG
(US8927738, 5,8-Dimethyl-2-[2-(2-thiophen-2-yl-1H-i...)
Show SMILES Cc1cnc(C)c2nc(CCc3c[nH]c(n3)-c3cccs3)nn12
Show InChI InChI=1S/C16H16N6S/c1-10-8-17-11(2)16-20-14(21-22(10)16)6-5-12-9-18-15(19-12)13-4-3-7-23-13/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
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n/an/a 0.400n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8927738 (2015)


BindingDB Entry DOI: 10.7270/Q2183571
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173191
PNG
(US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4...)
Show SMILES Cc1ccc(C)n2nc(CCc3nc(cn3C)-c3cscn3)nc12
Show InChI InChI=1S/C17H18N6S/c1-11-4-5-12(2)23-17(11)20-15(21-23)6-7-16-19-13(8-22(16)3)14-9-24-10-18-14/h4-5,8-10H,6-7H2,1-3H3
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US Patent
n/an/a 0.400n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127920
PNG
(US8796304, 2-[2-(5,8-Bis(trideuteromethyl)-[1,2,4]...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5ccccc5-c4n3)nn12
Show InChI InChI=1S/C19H18N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-6,9,11H,7-8,10H2,1-2H3
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n/an/a 0.400n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8796304 (2014)


BindingDB Entry DOI: 10.7270/Q2FN14WW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127920
PNG
(US8796304, 2-[2-(5,8-Bis(trideuteromethyl)-[1,2,4]...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5ccccc5-c4n3)nn12
Show InChI InChI=1S/C19H18N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-6,9,11H,7-8,10H2,1-2H3
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n/an/a 0.400n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8796304 (2014)


BindingDB Entry DOI: 10.7270/Q2FN14WW
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM164544
PNG
(US9669029, 115 5,8-Dimethyl-2-[2-(1-methyl-4-thiaz...)
Show SMILES CC1=CC=C(C)N2N=C(CCc3nc(cn3C)-c3cscn3)NC12
Show InChI InChI=1S/C17H20N6S/c1-11-4-5-12(2)23-17(11)20-15(21-23)6-7-16-19-13(8-22(16)3)14-9-24-10-18-14/h4-5,8-10,17H,6-7H2,1-3H3,(H,20,21)
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US Patent
n/an/a 0.400n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]ketanserin from serotonin 5-hydroxytryptamine 2 receptor


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127936
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1cccc2Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc3-c12
Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-17(24-26(12)19)8-7-15-11-25-10-14-5-4-6-16(27-3)18(14)20(25)22-15/h4-6,9,11H,7-8,10H2,1-3H3
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n/an/a 0.440n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127934
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1cccc-2c1Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc-21
Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-18(24-26(12)19)8-7-14-10-25-11-16-15(20(25)22-14)5-4-6-17(16)27-3/h4-6,9-10H,7-8,11H2,1-3H3
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n/an/a 0.440n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8796304 (2014)


BindingDB Entry DOI: 10.7270/Q2FN14WW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173192
PNG
(US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-pyrimidin...)
Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3C)-c3cncnc3)nn12
Show InChI InChI=1S/C17H18N8/c1-11-6-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(9-24(16)3)13-7-18-10-19-8-13/h6-10H,4-5H2,1-3H3
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n/an/a 0.440n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127936
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES COc1cccc2Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc3-c12
Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-17(24-26(12)19)8-7-15-11-25-10-14-5-4-6-16(27-3)18(14)20(25)22-15/h4-6,9,11H,7-8,10H2,1-3H3
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n/an/a 0.440n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8796304 (2014)


BindingDB Entry DOI: 10.7270/Q2FN14WW
More data for this
Ligand-Target Pair
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