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USPatent US9624199

Compile data set for download or QSAR
Found 21 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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317598
PNG
(US9624199, 8 | {6-[(2,6-Difluorobenzyl)(methyl)ami...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N(C)Cc1c(F)cccc1F |r|
Show InChI InChI=1S/C25H32F2N4O/c1-18-5-4-12-31(16-18)20-10-13-30(14-11-20)25(32)19-8-9-24(28-15-19)29(2)17-21-22(26)6-3-7-23(21)27/h3,6-9,15,18,20H,4-5,10-14,16-17H2,1-2H3/t18-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317593
PNG
(US9624199, 3 | {6-[(2R)-2-(Methoxymethyl)pyrrolidi...)
Show SMILES COC[C@H]1CCCN1c1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C23H36N4O2/c1-18-5-3-11-26(16-18)20-9-13-25(14-10-20)23(28)19-7-8-22(24-15-19)27-12-4-6-21(27)17-29-2/h7-8,15,18,20-21H,3-6,9-14,16-17H2,1-2H3/t18-,21-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317603
PNG
(US9624199, 13 | [6-(3-Methoxypyrrolidin-1-yl)pyrid...)
Show SMILES COC1CCN(C1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C22H34N4O2/c1-17-4-3-10-25(15-17)19-7-11-24(12-8-19)22(27)18-5-6-21(23-14-18)26-13-9-20(16-26)28-2/h5-6,14,17,19-20H,3-4,7-13,15-16H2,1-2H3/t17-,20?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317597
PNG
(US9624199, 7 | [3-(Cyclopropylmethoxy)-1,4′-...)
Show SMILES O=C(N1CCC(CC1)N1CCCC(C1)OCC1CC1)c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C24H36N4O3/c29-24(20-5-6-23(25-16-20)26-12-14-30-15-13-26)27-10-7-21(8-11-27)28-9-1-2-22(17-28)31-18-19-3-4-19/h5-6,16,19,21-22H,1-4,7-15,17-18H2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317607
PNG
(US9624199, 17 | [3-(Cyclopropylmethoxy)-1,4′...)
Show SMILES O=C(N1CCC(CC1)N1CCCC(C1)OCC1CC1)c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H35N5O3/c29-22(19-14-24-23(25-15-19)27-10-12-30-13-11-27)26-8-5-20(6-9-26)28-7-1-2-21(16-28)31-17-18-3-4-18/h14-15,18,20-21H,1-13,16-17H2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317604
PNG
(US9624199, 14 | {6-[(1-Methoxybutan-2-yl)amino]pyr...)
Show SMILES CCC(COC)Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C22H36N4O2/c1-4-19(16-28-3)24-21-8-7-18(14-23-21)22(27)25-12-9-20(10-13-25)26-11-5-6-17(2)15-26/h7-8,14,17,19-20H,4-6,9-13,15-16H2,1-3H3,(H,23,24)/t17-,19?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317595
PNG
(US9624199, 5 | [6-(4,4-Difluoropiperidin-1-yl)pyri...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C22H32F2N4O/c1-17-3-2-10-28(16-17)19-6-11-27(12-7-19)21(29)18-4-5-20(25-15-18)26-13-8-22(23,24)9-14-26/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317600
PNG
((6-{[(2 S)-1-Hydroxybutan-2-yl]amino}pyridin-3-yl)...)
Show SMILES CC[C@@H](CO)Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C21H34N4O2/c1-3-18(15-26)23-20-7-6-17(13-22-20)21(27)24-11-8-19(9-12-24)25-10-4-5-16(2)14-25/h6-7,13,16,18-19,26H,3-5,8-12,14-15H2,1-2H3,(H,22,23)/t16-,18+/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317609
PNG
(US9624199, 19 | [2-(4,4-Difluoropiperidin-1-yl)pyr...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1cnc(nc1)N1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C21H31F2N5O/c1-16-3-2-8-28(15-16)18-4-9-26(10-5-18)19(29)17-13-24-20(25-14-17)27-11-6-21(22,23)7-12-27/h13-14,16,18H,2-12,15H2,1H3/t16-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317602
PNG
(2-[(5-{[(3R)-3-Methyl-1,4′-bipiperidin-1R...)
Show SMILES CCC(COC(N)=O)Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C22H35N5O3/c1-3-18(15-30-22(23)29)25-20-7-6-17(13-24-20)21(28)26-11-8-19(9-12-26)27-10-4-5-16(2)14-27/h6-7,13,16,18-19H,3-5,8-12,14-15H2,1-2H3,(H2,23,29)(H,24,25)/t16-,18?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317608
PNG
(US9624199, 18 | [(3R)-3-Methyl-1,4′-bipiperi...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1cnc(nc1)N1CC2(COC2)C1 |r|
Show InChI InChI=1S/C21H31N5O2/c1-16-3-2-6-25(11-16)18-4-7-24(8-5-18)19(27)17-9-22-20(23-10-17)26-12-21(13-26)14-28-15-21/h9-10,16,18H,2-8,11-15H2,1H3/t16-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317599
PNG
(US9624199, 9 | [6-(1,1-Dioxidothiomorpholin-4-yl)p...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C21H32N4O3S/c1-17-3-2-8-25(16-17)19-6-9-24(10-7-19)21(26)18-4-5-20(22-15-18)23-11-13-29(27,28)14-12-23/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317605
PNG
(US9624199, 15 | [(3R)-3-Methyl-1,4′-bipiperi...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N1CCCC(C)C1 |r|
Show InChI InChI=1S/C23H36N4O/c1-18-5-3-11-26(16-18)21-9-13-25(14-10-21)23(28)20-7-8-22(24-15-20)27-12-4-6-19(2)17-27/h7-8,15,18-19,21H,3-6,9-14,16-17H2,1-2H3/t18-,19?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317591
PNG
( [(3R)-3-Methyl-1,4′-bipiperidin-1′-yl...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H32N4O2/c1-17-3-2-8-25(16-17)19-6-9-24(10-7-19)21(26)18-4-5-20(22-15-18)23-11-13-27-14-12-23/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317596
PNG
(US9624199, 6 | {6-[(2-Methoxyethyl)(methyl)amino]p...)
Show SMILES COCCN(C)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C21H34N4O2/c1-17-5-4-10-25(16-17)19-8-11-24(12-9-19)21(26)18-6-7-20(22-15-18)23(2)13-14-27-3/h6-7,15,17,19H,4-5,8-14,16H2,1-3H3/t17-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317594
PNG
(US9624199, 4 | {6-[(2-Methoxyethyl)amino]pyridin-3...)
Show SMILES COCCNc1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C20H32N4O2/c1-16-4-3-10-24(15-16)18-7-11-23(12-8-18)20(25)17-5-6-19(22-14-17)21-9-13-26-2/h5-6,14,16,18H,3-4,7-13,15H2,1-2H3,(H,21,22)/t16-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317610
PNG
(US9624199, 20 | {2-[(2R)-2-(Methoxymethyl)pyrrolid...)
Show SMILES COC[C@H]1CCCN1c1ncc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C22H35N5O2/c1-17-5-3-9-26(15-17)19-7-11-25(12-8-19)21(28)18-13-23-22(24-14-18)27-10-4-6-20(27)16-29-2/h13-14,17,19-20H,3-12,15-16H2,1-2H3/t17-,20-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317592
PNG
(US9624199, 2 | [(3R)-3-Methyl-1,4′-bipiperid...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H32N4O2/c1-17-3-2-8-25(16-17)19-6-9-24(10-7-19)21(26)18-4-5-20(22-15-18)23-11-13-27-14-12-23/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-/m1/s1
PDB

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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317606
PNG
(US9624199, 16 | [(3R)-3-Methyl-1,4′-bipiperi...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1cnc(nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C20H31N5O2/c1-16-3-2-6-25(15-16)18-4-7-23(8-5-18)19(26)17-13-21-20(22-14-17)24-9-11-27-12-10-24/h13-14,16,18H,2-12,15H2,1H3/t16-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317601
PNG
(US9624199, 11 | {6[(1-Hydroxybutan-2-yl)amino]pyri...)
Show SMILES CCC(CO)Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C21H34N4O2/c1-3-18(15-26)23-20-7-6-17(13-22-20)21(27)24-11-8-19(9-12-24)25-10-4-5-16(2)14-25/h6-7,13,16,18-19,26H,3-5,8-12,14-15H2,1-2H3,(H,22,23)/t16-,18?/m1/s1
PDB

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US Patent
n/an/a 62n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317611
PNG
(US9624199, 21 | [5-(1,1-Dioxidothiomorpholin-4-yl)...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1cnc(cn1)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C20H31N5O3S/c1-16-3-2-6-25(15-16)17-4-7-24(8-5-17)20(26)18-13-22-19(14-21-18)23-9-11-29(27,28)12-10-23/h13-14,16-17H,2-12,15H2,1H3/t16-/m1/s1
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 71n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%