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2 similar compounds to monomer 50237133

Compile data set for download or QSAR
Wt: 225.2
BDBM50237134
Wt: 285.3
BDBM50237135

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50237134,50237135   
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
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

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
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+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
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
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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
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 1A


(Homo sapiens (Human))
BDBM50237134
PNG
(CHEMBL1517429)
Show SMILES Oc1cccc(\C=C\C(=O)c2cccnc2)c1
Show InChI InChI=1S/C14H11NO2/c16-13-5-1-3-11(9-13)6-7-14(17)12-4-2-8-15-10-12/h1-10,16H/b7-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.50E+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))
BDBM50237134
PNG
(CHEMBL1517429)
Show SMILES Oc1cccc(\C=C\C(=O)c2cccnc2)c1
Show InChI InChI=1S/C14H11NO2/c16-13-5-1-3-11(9-13)6-7-14(17)12-4-2-8-15-10-12/h1-10,16H/b7-6+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.90E+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))
BDBM50237134
PNG
(CHEMBL1517429)
Show SMILES Oc1cccc(\C=C\C(=O)c2cccnc2)c1
Show InChI InChI=1S/C14H11NO2/c16-13-5-1-3-11(9-13)6-7-14(17)12-4-2-8-15-10-12/h1-10,16H/b7-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 466n/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