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BDBM234945 US9556143, 31::US9556143, Voriconazole

SMILES: CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F

InChI Key: InChIKey=DEAVNTCHXJVYSQ-ONEGZZNKSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 234945   
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 2C9


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.10E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...


US Patent US9556143 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.10E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




US Patent US9556143 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




US Patent US9556143 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS...


US Patent US9556143 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




US Patent US9556143 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM234945
PNG
(US9556143, 31 | US9556143, Voriconazole)
Show SMILES CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F4N5O2/c1-14(2)32-9-3-4-15-5-8-19(26-11-15)21(24,25)20(31,12-30-13-27-28-29-30)17-7-6-16(22)10-18(17)23/h3-8,10-11,13-14,31H,9,12H2,1-2H3/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




US Patent US9556143 (2017)

More data for this
Ligand-Target Pair