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6 similar compounds to monomer 50236946

Compile data set for download or QSAR
Wt: 259.3
BDBM50236955
Wt: 488.3
BDBM50236940
Wt: 243.6
BDBM50236945
Wt: 288.1
BDBM50236954
Wt: 460.3
BDBM50236960
Wt: 475.3
BDBM50236956

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50236955,50236940,50236945,50236954,50236960,50236956   
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))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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0.300n/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))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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0.410n/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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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0.5n/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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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0.570n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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1.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)

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


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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2.20n/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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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2.60n/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 D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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6.30n/an/an/an/an/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
Dopamine receptor


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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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 D4 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


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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31n/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 D4 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 D1 and D2 receptor


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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210n/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
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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2.90E+3n/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
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236954
PNG
(CHEMBL4084977)
Show SMILES Brc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10BrNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 64n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1B1 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))
BDBM50236945
PNG
(CHEMBL4065284)
Show SMILES Clc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10ClNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 3.40E+3n/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 1B1


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/a 64n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 cells using 7-ethoxyresorufin as substrate after 10 mins by fluorescence a...


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

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


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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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 2D6


(Homo sapiens (Human))
BDBM50236945
PNG
(CHEMBL4065284)
Show SMILES Clc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10ClNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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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 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 1A


(Homo sapiens (Human))
BDBM50236954
PNG
(CHEMBL4084977)
Show SMILES Brc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10BrNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 2.60E+3n/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 1B1


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/a 10n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1B1 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 1B1


(Homo sapiens (Human))
BDBM50236945
PNG
(CHEMBL4065284)
Show SMILES Clc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10ClNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 59n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1B1 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))
BDBM50236954
PNG
(CHEMBL4084977)
Show SMILES Brc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10BrNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 162n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibitory concentration against progesterone induced PRE-luciferase activity in CV-cells


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

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


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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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 1A


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/a 742n/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 2C19


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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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 3A


(Homo sapiens (Human))
BDBM50236954
PNG
(CHEMBL4084977)
Show SMILES Brc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10BrNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 1.40E+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))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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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 2C19


(Homo sapiens (Human))
BDBM50236945
PNG
(CHEMBL4065284)
Show SMILES Clc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10ClNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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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))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/an/an/a 500n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1B1 expressed in human A2780 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0...


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

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


(Homo sapiens (Human))
BDBM50236945
PNG
(CHEMBL4065284)
Show SMILES Clc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10ClNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 238n/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))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/a 53n/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 3A


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/a 1.80E+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 1B1


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/an/an/a 1.00E+3n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1B1 expressed in HEK293 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.02 u...


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

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


(Homo sapiens (Human))
BDBM50236945
PNG
(CHEMBL4065284)
Show SMILES Clc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10ClNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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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 2C9


(Homo sapiens (Human))
BDBM50236954
PNG
(CHEMBL4084977)
Show SMILES Brc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10BrNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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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 2D6


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/a 1.00E+4n/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 2D6


(Homo sapiens (Human))
BDBM50236954
PNG
(CHEMBL4084977)
Show SMILES Brc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10BrNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 8.00E+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))
BDBM50236945
PNG
(CHEMBL4065284)
Show SMILES Clc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10ClNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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n/an/a 1.25E+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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50236940
PNG
(CHEMBL4068372)
Show SMILES Brc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C21H18BrN3O4S/c22-18-7-4-8-19(13-18)30(28,29)23-14-15-9-11-17(12-10-15)21(27)25-24-20(26)16-5-2-1-3-6-16/h1-13,23H,14H2,(H,24,26)(H,25,27)
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n/an/a 204n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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n/an/an/an/a 37n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)

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


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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n/an/an/an/a 600n/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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236960
PNG
(CHEMBL4060403)
Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)
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n/an/an/an/a 13n/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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50236954
PNG
(CHEMBL4084977)
Show SMILES Brc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H10BrNO/c15-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-16-10-11/h1-10H/b7-6+
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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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236956
PNG
(CHEMBL4069091)
Show SMILES O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
Show InChI InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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n/an/an/an/a 3.80n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair