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6 similar compounds to monomer 50236941

Compile data set for download or QSAR
Wt: 209.2
BDBM50236944
Wt: 461.8
BDBM50236939
Wt: 697.8
BDBM50236935
Wt: 289.3
BDBM50236947
Wt: 408.4
BDBM50236963
Wt: 685.8
BDBM50236938

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50236944,50236939,50236935,50236947,50236963,50236938   
Target/Host
(Institution)
LigandTarget/Host
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)

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


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236938
PNG
(CHEMBL4086405)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O5S/c1-23(44)31(34(48)41-27(16-10-22-39-36(37)38)32(46)35-42-26-15-8-9-17-29(26)49-35)43-33(47)28(20-18-24-11-4-2-5-12-24)40-30(45)21-19-25-13-6-3-7-14-25/h2-9,11-15,17,23,27-28,31,44H,10,16,18-22H2,1H3,(H,40,45)(H,41,48)(H,43,47)(H4,37,38,39)/t23-,27-,28-,31-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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7.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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12n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50236938
PNG
(CHEMBL4086405)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O5S/c1-23(44)31(34(48)41-27(16-10-22-39-36(37)38)32(46)35-42-26-15-8-9-17-29(26)49-35)43-33(47)28(20-18-24-11-4-2-5-12-24)40-30(45)21-19-25-13-6-3-7-14-25/h2-9,11-15,17,23,27-28,31,44H,10,16,18-22H2,1H3,(H,40,45)(H,41,48)(H,43,47)(H4,37,38,39)/t23-,27-,28-,31-/m0/s1
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200n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


Eur J Med Chem 129: 110-123 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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350n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)

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


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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430n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human Dopamine D1 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236935
PNG
(CHEMBL4094168)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H47N7O4S/c1-38(2,3)33(35(49)43-28(18-12-24-41-37(39)40)32(47)36-44-27-17-10-11-19-30(27)50-36)45-34(48)29(22-20-25-13-6-4-7-14-25)42-31(46)23-21-26-15-8-5-9-16-26/h4-11,13-17,19,28-29,33H,12,18,20-24H2,1-3H3,(H,42,46)(H,43,49)(H,45,48)(H4,39,40,41)/t28-,29-,33+/m0/s1
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560n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)

More data for this
Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50236935
PNG
(CHEMBL4094168)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H47N7O4S/c1-38(2,3)33(35(49)43-28(18-12-24-41-37(39)40)32(47)36-44-27-17-10-11-19-30(27)50-36)45-34(48)29(22-20-25-13-6-4-7-14-25)42-31(46)23-21-26-15-8-5-9-16-26/h4-11,13-17,19,28-29,33H,12,18,20-24H2,1-3H3,(H,42,46)(H,43,49)(H,45,48)(H4,39,40,41)/t28-,29-,33+/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


Eur J Med Chem 129: 110-123 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50236944
PNG
(CHEMBL4087973)
Show SMILES O=C(\C=C\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
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n/an/a 8.20E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP2D6 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using EOMCC as substrate after 10 mins by fluorescenc...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a 8n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate additi...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50236944
PNG
(CHEMBL4087973)
Show SMILES O=C(\C=C\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
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n/an/a 3.18E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a 1.20E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236944
PNG
(CHEMBL4087973)
Show SMILES O=C(\C=C\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
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n/an/a 77n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor was measured


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a 795n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a>2.00E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP2C9 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50236944
PNG
(CHEMBL4087973)
Show SMILES O=C(\C=C\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
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n/an/a>2.00E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP2C19 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a 9n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Effective concentration required against L100I mutant HIV-1 reverse transcriptase


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50236944
PNG
(CHEMBL4087973)
Show SMILES O=C(\C=C\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
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n/an/a>2.00E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP2C9 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a>2.00E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP2C19 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a 4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1B1 expressed in HEK293 cells using CEC as substrate preincubated for 30 mins followed by substrate addition measured af...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a 65n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat striatal synaptic membranes


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/an/an/a 8.30E+3n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamat...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a 5.00E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP2D6 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using EOMCC as substrate after 10 mins by fluorescenc...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50236944
PNG
(CHEMBL4087973)
Show SMILES O=C(\C=C\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
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n/an/a 1.11E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP3A4 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/a 1.06E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP3A4 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50236944
PNG
(CHEMBL4087973)
Show SMILES O=C(\C=C\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H11NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+
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n/an/a 4.70E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50236939
PNG
(CHEMBL2333945)
Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)
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n/an/a 512n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluN1A/GluN2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced channel cur...


Eur J Med Chem 129: 124-134 (2017)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50236939
PNG
(CHEMBL2333945)
Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)
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n/an/a 109n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Negative allosteric modulation of eGFP-fused human GluN2A receptor expressed in HEK293T cells assessed as inhibition of NMDA-induced channel current ...


Eur J Med Chem 129: 124-134 (2017)

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


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing Galphai2 incubated for 30 mins measured after 75 min...


J Med Chem 60: 2908-2929 (2017)

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


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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n/an/an/an/a 17n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 min...


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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n/an/an/an/a 7.80n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/an/an/a 3.30E+3n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236963
PNG
(CHEMBL4098236)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-29-23-7-3-2-6-21(23)26-13-11-25(12-14-26)9-4-5-15-30-20-8-10-27-22(16-20)19(18-28)17-24-27/h2-3,6-8,10,16-18H,4-5,9,11-15H2,1H3
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n/an/an/an/a 7.70n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair