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Patent code US10308628

Compile Data Set for Download or QSAR
Found 10 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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395229
PNG
(US10308628, Compound 1)
Show SMILES COC(=O)[C@@H]1C[C@@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCOc2cc(F)c(F)cc12
Show InChI InChI=1S/C30H30F2N2O4/c1-37-30(36)26-17-22(33-14-8-16-38-27-19-24(32)23(31)18-25(27)33)13-15-34(26)29(35)28(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,18-19,22,26,28H,8,13-17H2,1H3/t22-,26+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
7n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395233
PNG
(US10308628, Compound 5)
Show SMILES COc1ccc2N(CCCCc2c1)[C@@H]1CCN([C@@H](C1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H34N2O4/c1-37-26-15-16-27-24(20-26)14-8-9-18-32(27)25-17-19-33(28(21-25)31(35)36)30(34)29(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,15-16,20,25,28-29H,8-9,14,17-19,21H2,1H3,(H,35,36)/t25-,28+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
9n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395230
PNG
(US10308628, Compound 2)
Show SMILES OC(=O)[C@@H]1C[C@@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCOc2cc(F)ccc12
Show InChI InChI=1S/C29H29FN2O4/c30-22-12-13-24-26(18-22)36-17-7-15-31(24)23-14-16-32(25(19-23)29(34)35)28(33)27(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-13,18,23,25,27H,7,14-17,19H2,(H,34,35)/t23-,25+/m1/s1
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395232
PNG
(US10308628, Compound 4)
Show SMILES OC(=O)[C@@H]1C[C@@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCOc2ccccc12
Show InChI InChI=1S/C29H30N2O4/c32-28(27(21-10-3-1-4-11-21)22-12-5-2-6-13-22)31-18-16-23(20-25(31)29(33)34)30-17-9-19-35-26-15-8-7-14-24(26)30/h1-8,10-15,23,25,27H,9,16-20H2,(H,33,34)/t23-,25+/m1/s1
PDB

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US Patent
15n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395231
PNG
(US10308628, Compound 3)
Show SMILES OC(=O)[C@@H]1C[C@@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCOc2ccc(F)cc12
Show InChI InChI=1S/C29H29FN2O4/c30-22-12-13-26-24(18-22)31(15-7-17-36-26)23-14-16-32(25(19-23)29(34)35)28(33)27(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-13,18,23,25,27H,7,14-17,19H2,(H,34,35)/t23-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
17n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395238
PNG
(US10308628, Compound 10)
Show SMILES OC(=O)[C@@H]1C[C@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCCc2ccc(F)cc12
Show InChI InChI=1S/C30H31FN2O3/c31-24-15-14-21-9-7-8-17-32(26(21)19-24)25-16-18-33(27(20-25)30(35)36)29(34)28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,10-15,19,25,27-28H,7-9,16-18,20H2,(H,35,36)/t25-,27-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
21n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395237
PNG
(US10308628, Compound 9)
Show SMILES OC(=O)[C@@H]1C[C@@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCCc2ccc(F)cc12
Show InChI InChI=1S/C30H31FN2O3/c31-24-15-14-21-9-7-8-17-32(26(21)19-24)25-16-18-33(27(20-25)30(35)36)29(34)28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,10-15,19,25,27-28H,7-9,16-18,20H2,(H,35,36)/t25-,27+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
23n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395234
PNG
(US10308628, Compound 6)
Show SMILES OC(=O)[C@@H]1C[C@@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCCc2ccccc12
Show InChI InChI=1S/C30H32N2O3/c33-29(28(23-13-3-1-4-14-23)24-15-5-2-6-16-24)32-20-18-25(21-27(32)30(34)35)31-19-10-9-12-22-11-7-8-17-26(22)31/h1-8,11,13-17,25,27-28H,9-10,12,18-21H2,(H,34,35)/t25-,27+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
26n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395236
PNG
(US10308628, Compound 8)
Show SMILES OC(=O)[C@@H]1C[C@@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCCc2cc(F)ccc12
Show InChI InChI=1S/C30H31FN2O3/c31-24-14-15-26-23(19-24)13-7-8-17-32(26)25-16-18-33(27(20-25)30(35)36)29(34)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-15,19,25,27-28H,7-8,13,16-18,20H2,(H,35,36)/t25-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
30n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM395235
PNG
(US10308628, Compound 7)
Show SMILES OC(=O)[C@@H]1C[C@@H](CCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCCCc2cc(F)c(F)cc12
Show InChI InChI=1S/C30H30F2N2O3/c31-24-17-22-13-7-8-15-33(26(22)19-25(24)32)23-14-16-34(27(18-23)30(36)37)29(35)28(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,17,19,23,27-28H,7-8,13-16,18H2,(H,36,37)/t23-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
50n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
15 μL of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needl...


US Patent US10308628 (2019)

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