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Compile Data Set for Download or QSAR
Found
33
Enz. Inhib. hit(s) with all data for entry = 11334
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583050
(CHEMBL5094781 | US11739089, Compound 8)
copy SMILES
Affinity Data
IC50: 175nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM151585
(US11739089, Compound Ketoconazole | US8987315, Ket...)
copy SMILES
copy InChI
Affinity Data
IC50: 175nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
DrugBank
PC cid
PC sid
PDB
Similars
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
DrugBank
PDB
3D Structure (crystal)
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM613968
(US11739089, Compound 2)
copy SMILES
Affinity Data
IC50: 175nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583051
(CHEMBL5080434 | US11739089, Compound 10)
copy SMILES
Affinity Data
IC50: 375nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM613977
(US11739089, Compound 11)
copy SMILES
Affinity Data
IC50: 375nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM613969
(US11739089, Compound 3)
copy SMILES
Affinity Data
IC50: 750nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583065
(CHEMBL5072078 | US11739089, Compound 28)
copy SMILES
Affinity Data
IC50: 750nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583060
(CHEMBL5079066 | US11739089, Compound 23)
copy SMILES
Affinity Data
IC50: 750nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM613975
(US11739089, Compound 9)
copy SMILES
Affinity Data
IC50: 750nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM613970
(US11739089, Compound 4)
copy SMILES
Affinity Data
IC50: 750nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583053
(CHEMBL5077462 | US11739089, Compound 7)
copy SMILES
Affinity Data
IC50: 750nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583068
(CHEMBL5081940 | US11739089, Compound 17)
copy SMILES
Affinity Data
IC50: 750nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583068
(CHEMBL5081940 | US11739089, Compound 17)
copy SMILES
Affinity Data
IC50: 750nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50206310
(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)
copy SMILES
copy InChI
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50075373
(1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...)
copy SMILES
copy InChI
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50567579
(Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
MCE
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583052
(CHEMBL5084749 | US11739089, Compound 1)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM613971
(US11739089, Compound 5)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583054
(CHEMBL5075114 | US11739089, Compound 6)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583070
(CHEMBL5074763 | US11739089, Compound 30)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583066
(CHEMBL5090486 | US11739089, Compound 29)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583064
(CHEMBL5076722 | US11739089, Compound 27)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583063
(CHEMBL5075886 | US11739089, Compound 26)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583061
(CHEMBL5081545 | US11739089, Compound 24)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583059
(CHEMBL5073106 | US11739089, Compound 22)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583058
(CHEMBL5094677 | US11739089, Compound 21)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583057
(CHEMBL5077301 | US11739089, Compound 20)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583056
(CHEMBL5074836 | US11739089, Compound 19)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583069
(CHEMBL5076816 | US11739089, Compound 18)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583067
(CHEMBL5083331 | US11739089, Compound 16)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM613980
(US11739089, Compound 15)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583067
(CHEMBL5083331 | US11739089, Compound 16)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Ligand
BDBM50583062
(CHEMBL5074563 | US11739089, Compound 25)
copy SMILES
Affinity Data
IC50: 1.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
BindingDB Entry DOI:
10.7270/Q27W6HBQ