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Patent code US8624022

Compile Data Set for Download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
1,3-beta-glucan synthase


(Candida albicans (Yeast))		BDBM111593
PNG
(US8624022, OGT4165)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccc(Oc2ccccc2)c1 |r|
Show InChI InChI=1S/C29H28F6N4O3/c30-28(31,32)20-11-19(12-21(13-20)29(33,34)35)15-37-26(40)17-39(18-27(41)38-10-9-22(36)16-38)23-5-4-8-25(14-23)42-24-6-2-1-3-7-24/h1-8,11-14,22H,9-10,15-18,36H2,(H,37,40)/t22-/m0/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.70E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))		BDBM111595
PNG
(US8624022, OGT4155)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(F)cc(c1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H28F4N4O3/c29-21-13-19(12-20(14-21)28(30,31)32)15-34-26(37)17-36(18-27(38)35-11-10-22(33)16-35)23-6-8-25(9-7-23)39-24-4-2-1-3-5-24/h1-9,12-14,22H,10-11,15-18,33H2,(H,34,37)/t22-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))		BDBM111595
PNG
(US8624022, OGT4155)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(F)cc(c1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H28F4N4O3/c29-21-13-19(12-20(14-21)28(30,31)32)15-34-26(37)17-36(18-27(38)35-11-10-22(33)16-35)23-6-8-25(9-7-23)39-24-4-2-1-3-5-24/h1-9,12-14,22H,10-11,15-18,33H2,(H,34,37)/t22-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))		BDBM111594
PNG
(US8624022, OGT4154)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H29ClN4O3/c28-21-6-4-5-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)23-9-11-25(12-10-23)35-24-7-2-1-3-8-24/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
KEGG

UniProtKB/TrEMBL

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PC sid
UniChem

Similars
US Patent
n/an/a 5.60E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))		BDBM111593
PNG
(US8624022, OGT4165)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccc(Oc2ccccc2)c1 |r|
Show InChI InChI=1S/C29H28F6N4O3/c30-28(31,32)20-11-19(12-21(13-20)29(33,34)35)15-37-26(40)17-39(18-27(41)38-10-9-22(36)16-38)23-5-4-8-25(14-23)42-24-6-2-1-3-7-24/h1-8,11-14,22H,9-10,15-18,36H2,(H,37,40)/t22-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.20E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))		BDBM111594
PNG
(US8624022, OGT4154)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H29ClN4O3/c28-21-6-4-5-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)23-9-11-25(12-10-23)35-24-7-2-1-3-8-24/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 8.00E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))		BDBM111590
PNG
(US8624022, OGT4325)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(C(=O)\C=C\c1ccccc1)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C28H26F3N3O3/c29-37(30)31-18-22-7-4-8-24(17-22)23-10-12-26(13-11-23)34(20-28(36)33-16-15-25(32)19-33)27(35)14-9-21-5-2-1-3-6-21/h1-14,17,25H,15-16,19-20,32H2/b14-9+/t25-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.50E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))		BDBM111596
PNG
(US8624022, OGT3935)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C27H29ClN4O3/c28-21-8-6-7-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)24-11-4-5-12-25(24)35-23-9-2-1-3-10-23/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
UniProtKB/TrEMBL

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PC sid
UniChem

Similars
US Patent
n/an/a 1.20E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))		BDBM111591
PNG
(US8624022, OGT4355)
Show SMILES CCc1cccc(c1)-c1ccc(cc1)N(CC(=O)N1CC[C@H](N)C1)C(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H31N3O2/c1-2-22-9-6-10-25(19-22)24-12-14-27(15-13-24)32(21-29(34)31-18-17-26(30)20-31)28(33)16-11-23-7-4-3-5-8-23/h3-16,19,26H,2,17-18,20-21,30H2,1H3/b16-11+/t26-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))		BDBM111590
PNG
(US8624022, OGT4325)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(C(=O)\C=C\c1ccccc1)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C28H26F3N3O3/c29-37(30)31-18-22-7-4-8-24(17-22)23-10-12-26(13-11-23)34(20-28(36)33-16-15-25(32)19-33)27(35)14-9-21-5-2-1-3-6-21/h1-14,17,25H,15-16,19-20,32H2/b14-9+/t25-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.56E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))		BDBM111591
PNG
(US8624022, OGT4355)
Show SMILES CCc1cccc(c1)-c1ccc(cc1)N(CC(=O)N1CC[C@H](N)C1)C(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H31N3O2/c1-2-22-9-6-10-25(19-22)24-12-14-27(15-13-24)32(21-29(34)31-18-17-26(30)20-31)28(33)16-11-23-7-4-3-5-8-23/h3-16,19,26H,2,17-18,20-21,30H2,1H3/b16-11+/t26-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))		BDBM111592
PNG
(US8624022, OGT4344)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(C(=O)\C=C\c1ccccc1)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H27N3O3/c28-22-17-18-29(19-22)27(32)20-30(26(31)16-11-21-7-3-1-4-8-21)23-12-14-25(15-13-23)33-24-9-5-2-6-10-24/h1-16,22H,17-20,28H2/b16-11+/t22-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))		BDBM111596
PNG
(US8624022, OGT3935)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C27H29ClN4O3/c28-21-8-6-7-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)24-11-4-5-12-25(24)35-23-9-2-1-3-10-23/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
KEGG

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.80E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))		BDBM111592
PNG
(US8624022, OGT4344)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(C(=O)\C=C\c1ccccc1)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H27N3O3/c28-22-17-18-29(19-22)27(32)20-30(26(31)16-11-21-7-3-1-4-8-21)23-12-14-25(15-13-23)33-24-9-5-2-6-10-24/h1-16,22H,17-20,28H2/b16-11+/t22-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.90E+4n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...

US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%