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USPatent US8524699

Compile data set for download or QSAR
Found 11 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
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3527
PNG
(US8524699, 18)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-c1cccnc1
Show InChI InChI=1S/C16H16N6O2/c23-16-13(12-2-1-3-17-9-12)10-20-22(16)15-8-14(18-11-19-15)21-4-6-24-7-5-21/h1-3,8-11,20H,4-7H2
PDB

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US Patent
n/an/a 180n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3543
PNG
(US8524699, 16)
Show SMILES Clc1ccc(cn1)-c1c[nH]n(-c2cc(ncn2)N2CCOCC2)c1=O
Show InChI InChI=1S/C16H15ClN6O2/c17-13-2-1-11(8-18-13)12-9-21-23(16(12)24)15-7-14(19-10-20-15)22-3-5-25-6-4-22/h1-2,7-10,21H,3-6H2
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 480n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3555
PNG
(US8524699, 3)
Show SMILES Cc1cc(C)n(n1)-c1cc(ncn1)-n1[nH]cc(-c2cccnc2)c1=O
Show InChI InChI=1S/C17H15N7O/c1-11-6-12(2)23(22-11)15-7-16(20-10-19-15)24-17(25)14(9-21-24)13-4-3-5-18-8-13/h3-10,21H,1-2H3
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 700n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3591
PNG
(US8524699, 7)
Show SMILES Clc1ccc(cc1)-c1nnc(s1)-n1[nH]cc(-c2cccnc2)c1=O
Show InChI InChI=1S/C16H10ClN5OS/c17-12-5-3-10(4-6-12)14-20-21-16(24-14)22-15(23)13(9-19-22)11-2-1-7-18-8-11/h1-9,19H
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 880n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3623
PNG
(US8524699, 28)
Show SMILES COCCN1CCN(CC1)c1cc(ncn1)-n1[nH]cc(-c2cccnc2)c1=O
Show InChI InChI=1S/C19H23N7O2/c1-28-10-9-24-5-7-25(8-6-24)17-11-18(22-14-21-17)26-19(27)16(13-23-26)15-3-2-4-20-12-15/h2-4,11-14,23H,5-10H2,1H3
PDB

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US Patent
n/an/a 890n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3629
PNG
(US8524699, 46)
Show SMILES O=c1c(c[nH]n1-c1cnccn1)-c1cccnc1
Show InChI InChI=1S/C12H9N5O/c18-12-10(9-2-1-3-13-6-9)7-16-17(12)11-8-14-4-5-15-11/h1-8,16H
PDB

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n/an/a 930n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3643
PNG
(US8524699, 44)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCCCC1)-c1cncc(c1)C#N
Show InChI InChI=1S/C18H17N7O/c19-8-13-6-14(10-20-9-13)15-11-23-25(18(15)26)17-7-16(21-12-22-17)24-4-2-1-3-5-24/h6-7,9-12,23H,1-5H2
PDB

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n/an/a 1.12E+3n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3644
PNG
(US8524699, 55)
Show SMILES CCN(CC)CCCCCCNc1cc(ncn1)-n1[nH]cc(-c2cccnc2)c1=O
Show InChI InChI=1S/C22H31N7O/c1-3-28(4-2)13-8-6-5-7-12-24-20-14-21(26-17-25-20)29-22(30)19(16-27-29)18-10-9-11-23-15-18/h9-11,14-17,27H,3-8,12-13H2,1-2H3,(H,24,25,26)
PDB

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n/an/a 1.70E+3n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3698
PNG
(US8524699, 22)
Show SMILES O=c1c(c[nH]n1-c1ccc(nn1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C18H13N5O/c24-18-15(14-7-4-10-19-11-14)12-20-23(18)17-9-8-16(21-22-17)13-5-2-1-3-6-13/h1-12,20H
PDB

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n/an/a 2.70E+3n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3723
PNG
(US8524699, 6)
Show SMILES O=c1c(c[nH]n1-c1nc2ccccc2s1)-c1cccnc1
Show InChI InChI=1S/C15H10N4OS/c20-14-11(10-4-3-7-16-8-10)9-17-19(14)15-18-12-5-1-2-6-13(12)21-15/h1-9,17H
PDB

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US Patent
n/an/a 2.80E+3n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))		BDBM3734
PNG
(US8524699, 26)
Show SMILES CN(C)CCOc1cc(ncn1)-n1[nH]cc(-c2cccnc2)c1=O
Show InChI InChI=1S/C16H18N6O2/c1-21(2)6-7-24-15-8-14(18-11-19-15)22-16(23)13(10-20-22)12-4-3-5-17-9-12/h3-5,8-11,20H,6-7H2,1-2H3
PDB

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US Patent
n/an/a 4.00E+3n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.

US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%