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Patent code US10106522

Compile Data Set for Download or QSAR
Found 12 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
Histamine H1 receptor


(Homo sapiens (human))
BDBM293397
PNG
(US10106522, Example 1)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCO)CC1
Show InChI InChI=1S/C18H27N3O2/c1-2-23-14-12-21-17-6-4-3-5-16(17)19-18(21)15-7-9-20(10-8-15)11-13-22/h3-6,15,22H,2,7-14H2,1H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293403
PNG
(US10106522, Example 3)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCCO)CC1
Show InChI InChI=1S/C19H29N3O2/c1-2-24-15-13-22-18-7-4-3-6-17(18)20-19(22)16-8-11-21(12-9-16)10-5-14-23/h3-4,6-7,16,23H,2,5,8-15H2,1H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293407
PNG
(US10106522, Example 5)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCOC(C)=O)CC1
Show InChI InChI=1S/C20H29N3O3/c1-3-25-14-13-23-19-7-5-4-6-18(19)21-20(23)17-8-10-22(11-9-17)12-15-26-16(2)24/h4-7,17H,3,8-15H2,1-2H3
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UniChem
US Patent
n/an/a 54n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293406
PNG
(US10106522, Example 4)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCOC)CC1
Show InChI InChI=1S/C19H29N3O2/c1-3-24-15-13-22-18-7-5-4-6-17(18)20-19(22)16-8-10-21(11-9-16)12-14-23-2/h4-7,16H,3,8-15H2,1-2H3
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PC sid
UniChem
US Patent
n/an/a 93n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293400
PNG
(US10106522, Example 2)
Show SMILES CCOCCOCCN1CCC(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C22H35N3O3/c1-3-26-16-14-25-21-8-6-5-7-20(21)23-22(25)19-9-11-24(12-10-19)13-15-28-18-17-27-4-2/h5-8,19H,3-4,9-18H2,1-2H3
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UniChem
US Patent
n/an/a 115n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293409
PNG
(US10106522, Example 8)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCOCC(=O)OCC)CC1
Show InChI InChI=1S/C22H33N3O4/c1-3-27-16-14-25-20-8-6-5-7-19(20)23-22(25)18-9-11-24(12-10-18)13-15-28-17-21(26)29-4-2/h5-8,18H,3-4,9-17H2,1-2H3
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UniChem
US Patent
n/an/a 169n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293408
PNG
(US10106522, Example 7)
Show SMILES OCCN1CCC(CC1)c1nc2ccccc2n1Cc1ccccn1
Show InChI InChI=1S/C20H24N4O/c25-14-13-23-11-8-16(9-12-23)20-22-18-6-1-2-7-19(18)24(20)15-17-5-3-4-10-21-17/h1-7,10,16,25H,8-9,11-15H2
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UniChem
US Patent
n/an/a 175n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293410
PNG
(US10106522, Example 9)
Show SMILES COC(=O)COCCN1CCC(CC1)c1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C25H31N3O4/c1-30-24(29)19-31-17-15-27-13-11-20(12-14-27)25-26-22-9-5-6-10-23(22)28(25)16-18-32-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3
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UniChem
US Patent
n/an/a 195n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293414
PNG
(US10106522, Compound I-11 in CN 103896915)
Show SMILES OC(=O)c1ccc(OCCN2CCC(CC2)c2nc3ccccc3n2CCOc2ccccc2)cc1
Show InChI InChI=1S/C29H31N3O4/c33-29(34)23-10-12-25(13-11-23)35-20-18-31-16-14-22(15-17-31)28-30-26-8-4-5-9-27(26)32(28)19-21-36-24-6-2-1-3-7-24/h1-13,22H,14-21H2,(H,33,34)
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UniChem
US Patent
n/an/a 260n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293413
PNG
(US10106522, Compound I-3 in CN 103896915)
Show SMILES OC(=O)Cc1ccc(OCCN2CCC(CC2)c2nc3ccccc3n2CCOc2ccccc2)cc1
Show InChI InChI=1S/C30H33N3O4/c34-29(35)22-23-10-12-26(13-11-23)36-20-18-32-16-14-24(15-17-32)30-31-27-8-4-5-9-28(27)33(30)19-21-37-25-6-2-1-3-7-25/h1-13,24H,14-22H2,(H,34,35)
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UniChem
US Patent
n/an/a 271n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293411
PNG
(US10106522, Example 5 in EP 0580541)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C28H39N3O/c1-5-32-21-20-31-26-9-7-6-8-25(26)29-27(31)23-15-18-30(19-16-23)17-14-22-10-12-24(13-11-22)28(2,3)4/h6-13,23H,5,14-21H2,1-4H3
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PC sid
UniChem
US Patent
n/an/a 424n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM293412
PNG
(US10106522, Compound I-8 in CN 103896915)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCOc2ccc(CC(O)=O)cc2)CC1
Show InChI InChI=1S/C26H33N3O4/c1-2-32-17-16-29-24-6-4-3-5-23(24)27-26(29)21-11-13-28(14-12-21)15-18-33-22-9-7-20(8-10-22)19-25(30)31/h3-10,21H,2,11-19H2,1H3,(H,30,31)
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UniChem
US Patent
n/an/a 1.99E+3n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%