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3 similar compounds to monomer 50237127

Compile data set for download or QSAR
Wt: 245.2
BDBM50237126
Wt: 333.3
BDBM50237128
Wt: 255.2
BDBM50237129

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50237126,50237128,50237129   
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 1A


(Homo sapiens (Human))
BDBM50237128
PNG
(CHEMBL4069375)
Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H15NO/c26-22(13-6-16-3-2-14-25-15-16)20-11-9-19-8-7-17-4-1-5-18-10-12-21(20)24(19)23(17)18/h1-15H/b13-6+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.10E+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))
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

Similars

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 1B1


(Homo sapiens (Human))
BDBM50237129
PNG
(CHEMBL4091327)
Show SMILES COc1ccc(\C=C\C(=O)c2cccnc2)cc1O
Show InChI InChI=1S/C15H13NO3/c1-19-15-7-5-11(9-14(15)18)4-6-13(17)12-3-2-8-16-10-12/h2-10,18H,1H3/b6-4+
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 112n/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))
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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UniChem

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PubMed
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))
BDBM50237129
PNG
(CHEMBL4091327)
Show SMILES COc1ccc(\C=C\C(=O)c2cccnc2)cc1O
Show InChI InChI=1S/C15H13NO3/c1-19-15-7-5-11(9-14(15)18)4-6-13(17)12-3-2-8-16-10-12/h2-10,18H,1H3/b6-4+
PDB

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PubMed
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 1A


(Homo sapiens (Human))
BDBM50237129
PNG
(CHEMBL4091327)
Show SMILES COc1ccc(\C=C\C(=O)c2cccnc2)cc1O
Show InChI InChI=1S/C15H13NO3/c1-19-15-7-5-11(9-14(15)18)4-6-13(17)12-3-2-8-16-10-12/h2-10,18H,1H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70E+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
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

Reactome pathway
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PubMed
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))
BDBM50237128
PNG
(CHEMBL4069375)
Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H15NO/c26-22(13-6-16-3-2-14-25-15-16)20-11-9-19-8-7-17-4-1-5-18-10-12-21(20)24(19)23(17)18/h1-15H/b13-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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PubMed
n/an/a 2.20E+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))
BDBM50237128
PNG
(CHEMBL4069375)
Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H15NO/c26-22(13-6-16-3-2-14-25-15-16)20-11-9-19-8-7-17-4-1-5-18-10-12-21(20)24(19)23(17)18/h1-15H/b13-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 162n/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