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Compile Data Set for Download or QSAR

Found 6 hits of Enz. Inhib. data with enzyme = 'Cytochrome P450 3A' and Substrate = 'to-be-curated'   
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 3A


(Homo sapiens (human))
BDBM25817
PNG
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
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Patents


Similars

n/an/a 8.00E+3n/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+
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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 3A


(Homo sapiens (human))
BDBM234944
PNG
(US9556143, 30)
Show SMILES CCOCCCc1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H21F4N5O2/c1-2-31-9-3-4-14-5-8-18(25-11-14)20(23,24)19(30,12-29-13-26-27-28-29)16-7-6-15(21)10-17(16)22/h5-8,10-11,13,30H,2-4,9,12H2,1H3
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n/an/a 1.70E+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+
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PC sid
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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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM198660
PNG
(US9221791, 6 | US9556143, 6)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(\C=C\COCC(F)(F)F)cn1
Show InChI InChI=1S/C20H16F7N5O2/c21-14-4-5-15(16(22)8-14)18(33,10-32-12-29-30-31-32)20(26,27)17-6-3-13(9-28-17)2-1-7-34-11-19(23,24)25/h1-6,8-9,12,33H,7,10-11H2/b2-1+
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n/an/a 8.10E+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))
BDBM198658
PNG
(US9221791, 4 | US9556143, 4)
Show SMILES CCOC(=O)\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H17F4N5O3/c1-2-32-18(30)8-4-13-3-7-17(25-10-13)20(23,24)19(31,11-29-12-26-27-28-29)15-6-5-14(21)9-16(15)22/h3-10,12,31H,2,11H2,1H3/b8-4+
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PC cid
PC sid
UniChem
n/an/a 8.30E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent




US Patent US9556143 (2017)

More data for this
Ligand-Target Pair