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4 similar compounds to monomer 50237129

Compile data set for download or QSAR
Wt: 245.2
BDBM50237126
Wt: 239.2
BDBM50237127
Wt: 299.3
BDBM50237130
Wt: 269.2
BDBM50237131

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50237126,50237127,50237130,50237131   
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
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50237131
PNG
(CHEMBL1970023)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C16H15NO3/c1-19-15-8-6-13(10-16(15)20-2)14(18)7-5-12-4-3-9-17-11-12/h3-11H,1-2H3/b7-5+
PDB
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n/an/a 176n/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))
BDBM50237130
PNG
(CHEMBL4079191)
Show SMILES COc1cc(\C=C\C(=O)c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C17H17NO4/c1-20-15-9-12(10-16(21-2)17(15)22-3)6-7-14(19)13-5-4-8-18-11-13/h4-11H,1-3H3/b7-6+
PDB

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n/an/a 288n/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))
BDBM50237131
PNG
(CHEMBL1970023)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C16H15NO3/c1-19-15-8-6-13(10-16(15)20-2)14(18)7-5-12-4-3-9-17-11-12/h3-11H,1-2H3/b7-5+
PDB

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n/an/a 3.10E+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 1A


(Homo sapiens (Human))
BDBM50237126
PNG
(CHEMBL4095688)
Show SMILES Fc1ccc(\C=C\C(=O)c2cccnc2)cc1F
Show InChI InChI=1S/C14H9F2NO/c15-12-5-3-10(8-13(12)16)4-6-14(18)11-2-1-7-17-9-11/h1-9H/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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PubMed
n/an/a 860n/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))
BDBM50237127
PNG
(CHEMBL4095308)
Show SMILES COc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-14-6-2-5-13(10-14)15(17)8-7-12-4-3-9-16-11-12/h2-11H,1H3/b8-7+
PDB

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n/an/a 3.50E+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 1A


(Homo sapiens (Human))
BDBM50237131
PNG
(CHEMBL1970023)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C16H15NO3/c1-19-15-8-6-13(10-16(15)20-2)14(18)7-5-12-4-3-9-17-11-12/h3-11H,1-2H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 705n/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))
BDBM50237126
PNG
(CHEMBL4095688)
Show SMILES Fc1ccc(\C=C\C(=O)c2cccnc2)cc1F
Show InChI InChI=1S/C14H9F2NO/c15-12-5-3-10(8-13(12)16)4-6-14(18)11-2-1-7-17-9-11/h1-9H/b6-4+
PDB

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n/an/a 1.18E+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))
BDBM50237127
PNG
(CHEMBL4095308)
Show SMILES COc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-14-6-2-5-13(10-14)15(17)8-7-12-4-3-9-16-11-12/h2-11H,1H3/b8-7+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 480n/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))
BDBM50237127
PNG
(CHEMBL4095308)
Show SMILES COc1cccc(c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C15H13NO2/c1-18-14-6-2-5-13(10-14)15(17)8-7-12-4-3-9-16-11-12/h2-11H,1H3/b8-7+
PDB
MMDB

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n/an/a 130n/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))
BDBM50237126
PNG
(CHEMBL4095688)
Show SMILES Fc1ccc(\C=C\C(=O)c2cccnc2)cc1F
Show InChI InChI=1S/C14H9F2NO/c15-12-5-3-10(8-13(12)16)4-6-14(18)11-2-1-7-17-9-11/h1-9H/b6-4+
PDB
MMDB

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n/an/a 120n/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))
BDBM50237130
PNG
(CHEMBL4079191)
Show SMILES COc1cc(\C=C\C(=O)c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C17H17NO4/c1-20-15-9-12(10-16(21-2)17(15)22-3)6-7-14(19)13-5-4-8-18-11-13/h4-11H,1-3H3/b7-6+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 515n/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))
BDBM50237130
PNG
(CHEMBL4079191)
Show SMILES COc1cc(\C=C\C(=O)c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C17H17NO4/c1-20-15-9-12(10-16(21-2)17(15)22-3)6-7-14(19)13-5-4-8-18-11-13/h4-11H,1-3H3/b7-6+
PDB
MMDB

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PubMed
n/an/a 349n/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