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Compile Data Set for Download or QSAR

Found 5 hits of ki for UniProtKB: P00178   
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 2B4


(Oryctolagus cuniculus)
BDBM50310823
PNG
(CHEMBL1078442 | bergamottin)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
PDB
MMDB

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PC cid
PC sid
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Patents

PubMed
2.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rabbit cytochrome P450 2B4


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 2B4


(Oryctolagus cuniculus)
BDBM50027787
PNG
(CHEMBL1908211 | N-Methylcarbazole)
Show SMILES Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.30E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rabbit cytochrome P450 CYP2B4


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 2B4


(Oryctolagus cuniculus)
BDBM50027780
PNG
(CHEMBL1908229)
Show SMILES CC(OC(C)(C)C)C#C
Show InChI InChI=1/C8H14O/c1-6-7(2)9-8(3,4)5/h1,7H,2-5H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
3.70E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 measured by 7-EFC O-deethylation activity


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 2B4


(Oryctolagus cuniculus)
BDBM50027798
PNG
(CHEMBL1908221)
Show SMILES CC(C)(C)C#C
Show InChI InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
PDB
MMDB

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CHEMBL
PC cid
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UniChem
PubMed
7.50E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 measured by 7-EFC O-deethylation activity


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 2B4


(Oryctolagus cuniculus)
BDBM50027789
PNG
(CHEMBL1908217)
Show SMILES COC(=O)c1csc2snnc12
Show InChI InChI=1S/C6H4N2O2S2/c1-10-5(9)3-2-11-6-4(3)7-8-12-6/h2H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.00E+6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 1-Phenylethanol oxidation was used as probe activity


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair