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3 similar compounds to monomer 50237134

Compile data set for download or QSAR
Wt: 253.7
BDBM50228697
Wt: 239.2
BDBM50237133
Wt: 285.3
BDBM50237135

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50228697,50237133,50237135   
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
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228697
PNG
(CHEMBL1203602)
Show SMILES Cl.CN1CCc2c(O)ccc3CCCC(C1)c23
Show InChI InChI=1S/C14H19NO.ClH/c1-15-8-7-12-13(16)6-5-10-3-2-4-11(9-15)14(10)12;/h5-6,11,16H,2-4,7-9H2,1H3;1H
KEGG

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Article
PubMed
316n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in rat cerebral cortical membrane using [3H]-8-OH-DPAT as radioligand.


J Med Chem 33: 633-41 (1990)


Article DOI: 10.1021/jm00164a026
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50228697
PNG
(CHEMBL1203602)
Show SMILES Cl.CN1CCc2c(O)ccc3CCCC(C1)c23
Show InChI InChI=1S/C14H19NO.ClH/c1-15-8-7-12-13(16)6-5-10-3-2-4-11(9-15)14(10)12;/h5-6,11,16H,2-4,7-9H2,1H3;1H
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
631n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in rat cerebral cortical membrane using [3H]yohimbine as radioligand.


J Med Chem 33: 633-41 (1990)


Article DOI: 10.1021/jm00164a026
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50237133
PNG
(CHEMBL4072091)
Show SMILES COc1ccccc1\C=C\C(=O)c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-15-7-3-2-5-12(15)8-9-14(17)13-6-4-10-16-11-13/h2-11H,1H3/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))
BDBM50237133
PNG
(CHEMBL4072091)
Show SMILES COc1ccccc1\C=C\C(=O)c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-15-7-3-2-5-12(15)8-9-14(17)13-6-4-10-16-11-13/h2-11H,1H3/b9-8+
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n/an/a 15n/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))
BDBM50237133
PNG
(CHEMBL4072091)
Show SMILES COc1ccccc1\C=C\C(=O)c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-15-7-3-2-5-12(15)8-9-14(17)13-6-4-10-16-11-13/h2-11H,1H3/b9-8+
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n/an/a 220n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibitory concentration against progesterone stimulated alkaline phosphatase activity in T47D human breast carcinoma cell line


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

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


(Homo sapiens (Human))
BDBM50237133
PNG
(CHEMBL4072091)
Show SMILES COc1ccccc1\C=C\C(=O)c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-15-7-3-2-5-12(15)8-9-14(17)13-6-4-10-16-11-13/h2-11H,1H3/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 1A


(Homo sapiens (Human))
BDBM50237133
PNG
(CHEMBL4072091)
Show SMILES COc1ccccc1\C=C\C(=O)c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-15-7-3-2-5-12(15)8-9-14(17)13-6-4-10-16-11-13/h2-11H,1H3/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
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 1B1


(Homo sapiens (Human))
BDBM50237135
PNG
(CHEMBL4100464)
Show SMILES O=C(\C=C\c1cccnc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-20(13-8-16-5-4-14-21-15-16)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-15H/b13-8+
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n/an/a 189n/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 2D6


(Homo sapiens (Human))
BDBM50237133
PNG
(CHEMBL4072091)
Show SMILES COc1ccccc1\C=C\C(=O)c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-15-7-3-2-5-12(15)8-9-14(17)13-6-4-10-16-11-13/h2-11H,1H3/b9-8+
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n/an/a 1.74E+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))
BDBM50237133
PNG
(CHEMBL4072091)
Show SMILES COc1ccccc1\C=C\C(=O)c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-15-7-3-2-5-12(15)8-9-14(17)13-6-4-10-16-11-13/h2-11H,1H3/b9-8+
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n/an/a 1.52E+3n/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))
BDBM50237135
PNG
(CHEMBL4100464)
Show SMILES O=C(\C=C\c1cccnc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-20(13-8-16-5-4-14-21-15-16)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-15H/b13-8+
PDB

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n/an/a 2.30E+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 1A


(Homo sapiens (Human))
BDBM50237135
PNG
(CHEMBL4100464)
Show SMILES O=C(\C=C\c1cccnc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-20(13-8-16-5-4-14-21-15-16)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-15H/b13-8+
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n/an/a 1.70E+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