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Patent code US10562882

Compile Data Set for Download or QSAR
Found 43 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
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM50121328
PNG
(CHEMBL3622090 | US10562882, Example 35)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(F)(C1)c1ncc(Cl)cc1C
Show InChI InChI=1S/C18H20ClFN4O/c1-12-8-14(19)10-23-16(12)18(20)5-3-7-24(11-18)17(25)13-4-6-22-15(9-13)21-2/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,21,22)
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n/an/a 290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM50121324
PNG
(CHEMBL3622086 | US10562882, Example 3)
Show SMILES CC(C)n1c(nc2ccccc12)C1CCCN(C1)C(=O)c1ccnc(c1)N(C)C
Show InChI InChI=1S/C23H29N5O/c1-16(2)28-20-10-6-5-9-19(20)25-22(28)18-8-7-13-27(15-18)23(29)17-11-12-24-21(14-17)26(3)4/h5-6,9-12,14,16,18H,7-8,13,15H2,1-4H3
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n/an/a 320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM50121325
PNG
(CHEMBL3622087 | US10562882, Example 15)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(C1)c1cc2ccccc2n1C(C)C
Show InChI InChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-11-7-9-18(14-24)21-12-17-8-5-6-10-20(17)26(21)16(2)3/h5-6,8,10,12-13,15-16,18H,4,7,9,11,14H2,1-3H3
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n/an/a 330n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM50121324
PNG
(CHEMBL3622086 | US10562882, Example 3)
Show SMILES CC(C)n1c(nc2ccccc12)C1CCCN(C1)C(=O)c1ccnc(c1)N(C)C
Show InChI InChI=1S/C23H29N5O/c1-16(2)28-20-10-6-5-9-19(20)25-22(28)18-8-7-13-27(15-18)23(29)17-11-12-24-21(14-17)26(3)4/h5-6,9-12,14,16,18H,7-8,13,15H2,1-4H3
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n/an/a 330n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433582
PNG
(4-[3-(1-Ethyl-1H-indol-2-yl)piperidine-1-carbonyl]...)
Show SMILES CCn1c(cc2ccccc12)C1CCCN(C1)C(=O)c1ccnc(c1)N(C)C
Show InChI InChI=1S/C23H28N4O/c1-4-27-20-10-6-5-8-17(20)14-21(27)19-9-7-13-26(16-19)23(28)18-11-12-24-22(15-18)25(2)3/h5-6,8,10-12,14-15,19H,4,7,9,13,16H2,1-3H3
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n/an/a 390n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433661
PNG
(5-[3-(5-Chloro-3-methylpyridin-2-yl)-3-fluoropiper...)
Show SMILES CN(C)c1cc(cnn1)C(=O)N1CCCC(F)(C1)c1ncc(Cl)cc1C
Show InChI InChI=1S/C18H21ClFN5O/c1-12-7-14(19)10-21-16(12)18(20)5-4-6-25(11-18)17(26)13-8-15(24(2)3)23-22-9-13/h7-10H,4-6,11H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433642
PNG
(4-[3-(5-Chloro-3-methylpyridin-2-yl)-3-methoxypipe...)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(C1)(OC)c1ncc(Cl)cc1C
Show InChI InChI=1S/C19H23ClN4O2/c1-13-9-15(20)11-23-17(13)19(26-3)6-4-8-24(12-19)18(25)14-5-7-22-16(10-14)21-2/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,21,22)
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n/an/a 470n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433637
PNG
(4-{3-[5-Chloro-3-(trifluoromethyl)pyridin-2-yl]-3-...)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(C1)(OC)c1ncc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C19H20ClF3N4O2/c1-24-15-8-12(4-6-25-15)17(28)27-7-3-5-18(11-27,29-2)16-14(19(21,22)23)9-13(20)10-26-16/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,24,25)
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n/an/a 480n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433587
PNG
(5-[3-(1-Ethyl-1H-indol-2-yl)piperidine-1-carbonyl]...)
Show SMILES CCn1c(cc2ccccc12)C1CCCN(C1)C(=O)c1cnnc(NC)c1
Show InChI InChI=1S/C21H25N5O/c1-3-26-18-9-5-4-7-15(18)11-19(26)16-8-6-10-25(14-16)21(27)17-12-20(22-2)24-23-13-17/h4-5,7,9,11-13,16H,3,6,8,10,14H2,1-2H3,(H,22,24)
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n/an/a 480n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433641
PNG
(4-{3-[5-Chloro-3-(trifluoromethyl)pyridin-2-yl]-3-...)
Show SMILES COC1(CCCN(C1)C(=O)c1ccnc(c1)N(C)C)c1ncc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C20H22ClF3N4O2/c1-27(2)16-9-13(5-7-25-16)18(29)28-8-4-6-19(12-28,30-3)17-15(20(22,23)24)10-14(21)11-26-17/h5,7,9-11H,4,6,8,12H2,1-3H3
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n/an/a 510n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433589
PNG
(N-Methyl-5-{3-[1-(propan-2-yl)-1H-indol-2-yl]piper...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1cc2ccccc2n1C(C)C
Show InChI InChI=1S/C22H27N5O/c1-15(2)27-19-9-5-4-7-16(19)11-20(27)17-8-6-10-26(14-17)22(28)18-12-21(23-3)25-24-13-18/h4-5,7,9,11-13,15,17H,6,8,10,14H2,1-3H3,(H,23,25)
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n/an/a 540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433588
PNG
(N,N-Dimethyl-5-{3-[1-(propan-2-yl)-1H-indol-2-yl]p...)
Show SMILES CC(C)n1c(cc2ccccc12)C1CCCN(C1)C(=O)c1cnnc(c1)N(C)C
Show InChI InChI=1S/C23H29N5O/c1-16(2)28-20-10-6-5-8-17(20)12-21(28)18-9-7-11-27(15-18)23(29)19-13-22(26(3)4)25-24-14-19/h5-6,8,10,12-14,16,18H,7,9,11,15H2,1-4H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM50121327
PNG
(CHEMBL3622089 | US10562882, Example 27)
Show SMILES CCn1c(cc2cc(Cl)ccc12)C1CCCN(C1)C(=O)c1cn(C)nc1N
Show InChI InChI=1S/C20H24ClN5O/c1-3-26-17-7-6-15(21)9-14(17)10-18(26)13-5-4-8-25(11-13)20(27)16-12-24(2)23-19(16)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,22,23)
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n/an/a 910n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433646
PNG
(5-[3-(5-Chloro-3-methylpyridin-2-yl)-3-methoxypipe...)
Show SMILES COC1(CCCN(C1)C(=O)c1cnnc(c1)N(C)C)c1ncc(Cl)cc1C
Show InChI InChI=1S/C19H24ClN5O2/c1-13-8-15(20)11-21-17(13)19(27-4)6-5-7-25(12-19)18(26)14-9-16(24(2)3)23-22-10-14/h8-11H,5-7,12H2,1-4H3
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n/an/a 920n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433584
PNG
(5-[3-(1-Ethyl-1H-indol-2-yl)piperidine-1-carbonyl]...)
Show SMILES CCn1c(cc2ccccc12)C1CCCN(C1)C(=O)c1cnnc(c1)N(C)C
Show InChI InChI=1S/C22H27N5O/c1-4-27-19-10-6-5-8-16(19)12-20(27)17-9-7-11-26(15-17)22(28)18-13-21(25(2)3)24-23-14-18/h5-6,8,10,12-14,17H,4,7,9,11,15H2,1-3H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433636
PNG
(5-[3-(5-Chloro-3-methylpyridin-2-yl)piperidine-1-c...)
Show SMILES CN(C)c1cc(cnn1)C(=O)N1CCCC(C1)c1ncc(Cl)cc1C
Show InChI InChI=1S/C18H22ClN5O/c1-12-7-15(19)10-20-17(12)13-5-4-6-24(11-13)18(25)14-8-16(23(2)3)22-21-9-14/h7-10,13H,4-6,11H2,1-3H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433577
PNG
(N,N-Dimethyl-4-[3-(1-methyl-1H-indol-2-yl)piperidi...)
Show SMILES CN(C)c1cc(ccn1)C(=O)N1CCCC(C1)c1cc2ccccc2n1C
Show InChI InChI=1S/C22H26N4O/c1-24(2)21-14-17(10-11-23-21)22(27)26-12-6-8-18(15-26)20-13-16-7-4-5-9-19(16)25(20)3/h4-5,7,9-11,13-14,18H,6,8,12,15H2,1-3H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433578
PNG
(N-Methyl-5-[3-(1-methyl-1H-indol-2-yl)piperidine-1...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1cc2ccccc2n1C
Show InChI InChI=1S/C20H23N5O/c1-21-19-11-16(12-22-23-19)20(26)25-9-5-7-15(13-25)18-10-14-6-3-4-8-17(14)24(18)2/h3-4,6,8,10-12,15H,5,7,9,13H2,1-2H3,(H,21,23)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433558
PNG
(N,N-Dimethyl-4-[3-(1-methyl-1H-1,3-benzodiazol-2-y...)
Show SMILES CN(C)c1cc(ccn1)C(=O)N1CCCC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H25N5O/c1-24(2)19-13-15(10-11-22-19)21(27)26-12-6-7-16(14-26)20-23-17-8-4-5-9-18(17)25(20)3/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3
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n/an/a 1.22E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433660
PNG
(5-[3-(5-Chloro-3-methylpyridin-2-yl)-3-fluoropiper...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(F)(C1)c1ncc(Cl)cc1C
Show InChI InChI=1S/C17H19ClFN5O/c1-11-6-13(18)9-21-15(11)17(19)4-3-5-24(10-17)16(25)12-7-14(20-2)23-22-8-12/h6-9H,3-5,10H2,1-2H3,(H,20,23)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433602
PNG
(5-[3-(5-Chloro-1-ethyl-1H-indol-2-yl)piperidine-1-...)
Show SMILES CCn1c(cc2cc(Cl)ccc12)C1CCCN(C1)C(=O)c1cnnc(NC)c1
Show InChI InChI=1S/C21H24ClN5O/c1-3-27-18-7-6-17(22)9-15(18)10-19(27)14-5-4-8-26(13-14)21(28)16-11-20(23-2)25-24-12-16/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,23,25)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433592
PNG
(1-Methyl-4-{3-[1-(propan-2-yl)-1H-indol-2-yl]piper...)
Show SMILES CC(C)n1c(cc2ccccc12)C1CCCN(C1)C(=O)c1cn(C)nc1N
Show InChI InChI=1S/C21H27N5O/c1-14(2)26-18-9-5-4-7-15(18)11-19(26)16-8-6-10-25(12-16)21(27)17-13-24(3)23-20(17)22/h4-5,7,9,11,13-14,16H,6,8,10,12H2,1-3H3,(H2,22,23)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433645
PNG
(5-[3-(5-Chloro-3-methylpyridin-2-yl)-3-methoxypipe...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)(OC)c1ncc(Cl)cc1C
Show InChI InChI=1S/C18H22ClN5O2/c1-12-7-14(19)10-21-16(12)18(26-3)5-4-6-24(11-18)17(25)13-8-15(20-2)23-22-9-13/h7-10H,4-6,11H2,1-3H3,(H,20,23)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433639
PNG
(5-{3-[5-Chloro-3-(trifluoromethyl)pyridin-2-yl]-3-...)
Show SMILES COC1(CCCN(C1)C(=O)c1cnnc(c1)N(C)C)c1ncc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C19H21ClF3N5O2/c1-27(2)15-7-12(9-25-26-15)17(29)28-6-4-5-18(11-28,30-3)16-14(19(21,22)23)8-13(20)10-24-16/h7-10H,4-6,11H2,1-3H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433607
PNG
(5-[3-(5-Chloro-1-ethyl-1H-indol-2-yl)piperidine-1-...)
Show SMILES CCn1c(cc2cc(Cl)ccc12)C1CCCN(C1)C(=O)c1cnnc(c1)N(C)C
Show InChI InChI=1S/C22H26ClN5O/c1-4-28-19-8-7-18(23)10-16(19)11-20(28)15-6-5-9-27(14-15)22(29)17-12-21(26(2)3)25-24-13-17/h7-8,10-13,15H,4-6,9,14H2,1-3H3
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n/an/a 1.73E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433560
PNG
(N-Methyl-5-{3-[1-(propan-2-yl)-1H-1,3-benzodiazol-...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1nc2ccccc2n1C(C)C
Show InChI InChI=1S/C21H26N6O/c1-14(2)27-18-9-5-4-8-17(18)24-20(27)15-7-6-10-26(13-15)21(28)16-11-19(22-3)25-23-12-16/h4-5,8-9,11-12,14-15H,6-7,10,13H2,1-3H3,(H,22,25)
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n/an/a 1.74E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433564
PNG
(2-[1-(1-Ethyl-1H-pyrazole-4-carbonyl)piperidin-3-y...)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(C1)c1nc2ccccc2n1C(C)C
Show InChI InChI=1S/C21H27N5O/c1-4-25-14-17(12-22-25)21(27)24-11-7-8-16(13-24)20-23-18-9-5-6-10-19(18)26(20)15(2)3/h5-6,9-10,12,14-16H,4,7-8,11,13H2,1-3H3
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n/an/a 1.82E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433640
PNG
(5-Chloro-2-[1-(1-ethyl-1H-pyrazole-4-carbonyl)-3-m...)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(C1)(OC)c1ncc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C18H20ClF3N4O2/c1-3-26-10-12(8-24-26)16(27)25-6-4-5-17(11-25,28-2)15-14(18(20,21)22)7-13(19)9-23-15/h7-10H,3-6,11H2,1-2H3
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n/an/a 1.88E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433638
PNG
(5-({3-[5-Chloro-3-(trifluoromethyl)pyridin-2-yl]-3...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)(OC)c1ncc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O2/c1-23-14-6-11(8-25-26-14)16(28)27-5-3-4-17(10-27,29-2)15-13(18(20,21)22)7-12(19)9-24-15/h6-9H,3-5,10H2,1-2H3,(H,23,26)
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n/an/a 2.08E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433600
PNG
(5-[3-(1-Ethyl-3-methyl-1H-indol-2-yl)piperidine-1-...)
Show SMILES CCn1c(C2CCCN(C2)C(=O)c2cnnc(NC)c2)c(C)c2ccccc12
Show InChI InChI=1S/C22H27N5O/c1-4-27-19-10-6-5-9-18(19)15(2)21(27)16-8-7-11-26(14-16)22(28)17-12-20(23-3)25-24-13-17/h5-6,9-10,12-13,16H,4,7-8,11,14H2,1-3H3,(H,23,25)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433663
PNG
(5-Chloro-2-[1-(1-ethyl-1H-pyrazole-4-carbonyl)-3-f...)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(F)(C1)c1ncc(Cl)cc1C
Show InChI InChI=1S/C17H20ClFN4O/c1-3-23-10-13(8-21-23)16(24)22-6-4-5-17(19,11-22)15-12(2)7-14(18)9-20-15/h7-10H,3-6,11H2,1-2H3
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n/an/a 2.39E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433599
PNG
(1-Ethyl-2-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]pi...)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(C1)c1cc2cc(C)ccc2n1CC
Show InChI InChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-10-6-7-17(14-24)21-12-18-11-16(3)8-9-20(18)26(21)5-2/h8-9,11-13,15,17H,4-7,10,14H2,1-3H3
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n/an/a 2.59E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433601
PNG
(5-[3-(1-Ethyl-5-methyl-1H-indol-2-yl)piperidine-1-...)
Show SMILES CCn1c(cc2cc(C)ccc12)C1CCCN(C1)C(=O)c1cnnc(NC)c1
Show InChI InChI=1S/C22H27N5O/c1-4-27-19-8-7-15(2)10-17(19)11-20(27)16-6-5-9-26(14-16)22(28)18-12-21(23-3)25-24-13-18/h7-8,10-13,16H,4-6,9,14H2,1-3H3,(H,23,25)
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n/an/a 2.69E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433617
PNG
(4-[3-(1-Ethyl-5-methyl-1H-indol-2-yl)piperidine-1-...)
Show SMILES CCn1c(cc2cc(C)ccc12)C1CCCN(C1)C(=O)c1cn(C)nc1N
Show InChI InChI=1S/C21H27N5O/c1-4-26-18-8-7-14(2)10-16(18)11-19(26)15-6-5-9-25(12-15)21(27)17-13-24(3)23-20(17)22/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3,(H2,22,23)
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n/an/a 3.12E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433662
PNG
(5-Chloro-2-[1-(1-ethyl-1H-pyrazole-4-carbonyl)-3-m...)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(C1)(OC)c1ncc(Cl)cc1C
Show InChI InChI=1S/C18H23ClN4O2/c1-4-23-11-14(9-21-23)17(24)22-7-5-6-18(12-22,25-3)16-13(2)8-15(19)10-20-16/h8-11H,4-7,12H2,1-3H3
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n/an/a 3.41E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433665
PNG
(4-[3-(5-Chloro-3-methylpyridin-2-yl)-3-fluoropiper...)
Show SMILES Cc1cc(Cl)cnc1C1(F)CCCN(C1)C(=O)c1cn(C)nc1N
Show InChI InChI=1S/C16H19ClFN5O/c1-10-6-11(17)7-20-13(10)16(18)4-3-5-23(9-16)15(24)12-8-22(2)21-14(12)19/h6-8H,3-5,9H2,1-2H3,(H2,19,21)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433606
PNG
(5-[3-(1-Ethyl-5-methyl-1H-indol-2-yl)piperidine-1-...)
Show SMILES CCn1c(cc2cc(C)ccc12)C1CCCN(C1)C(=O)c1cnnc(c1)N(C)C
Show InChI InChI=1S/C23H29N5O/c1-5-28-20-9-8-16(2)11-18(20)12-21(28)17-7-6-10-27(15-17)23(29)19-13-22(26(3)4)25-24-14-19/h8-9,11-14,17H,5-7,10,15H2,1-4H3
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n/an/a 5.34E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM50121326
PNG
(CHEMBL3622088 | US10562882, Example 23)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1[nH]c2ccccc2c1C
Show InChI InChI=1S/C20H23N5O/c1-13-16-7-3-4-8-17(16)23-19(13)14-6-5-9-25(12-14)20(26)15-10-18(21-2)24-22-11-15/h3-4,7-8,10-11,14,23H,5-6,9,12H2,1-2H3,(H,21,24)
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US Patent
n/an/a 7.41E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433609
PNG
(N,N-Dimethyl-5-[3-(3-methyl-1H-indol-2-yl)piperidi...)
Show SMILES CN(C)c1cc(cnn1)C(=O)N1CCCC(C1)c1[nH]c2ccccc2c1C
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n/an/a 7.41E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433559
PNG
(2-[1-(6-Chloropyridazine-4-carbonyl)piperidin-3-yl...)
Show SMILES CC(C)n1c(nc2ccccc12)C1CCCN(C1)C(=O)c1cnnc(Cl)c1
Show InChI InChI=1S/C20H22ClN5O/c1-13(2)26-17-8-4-3-7-16(17)23-19(26)14-6-5-9-25(12-14)20(27)15-10-18(21)24-22-11-15/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3
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n/an/a 7.46E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM433610
PNG
(4-[3-(1-Ethyl-3-methyl-1H-indol-2-yl)piperidine-1-...)
Show SMILES CCn1c(C2CCCN(C2)C(=O)c2cn(C)nc2N)c(C)c2ccccc12
Show InChI InChI=1S/C21H27N5O/c1-4-26-18-10-6-5-9-16(18)14(2)19(26)15-8-7-11-25(12-15)21(27)17-13-24(3)23-20(17)22/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3,(H2,22,23)
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n/an/a 7.86E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM50121329
PNG
(CHEMBL3622091 | US10562882, Example 42)
Show SMILES COC1(CCCN(C1)C(=O)c1cn(C)nc1N)c1ncc(Cl)cc1C
Show InChI InChI=1S/C17H22ClN5O2/c1-11-7-12(18)8-20-14(11)17(25-3)5-4-6-23(10-17)16(24)13-9-22(2)21-15(13)19/h7-9H,4-6,10H2,1-3H3,(H2,19,21)
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n/an/a>9.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM50121324
PNG
(CHEMBL3622086 | US10562882, Example 3)
Show SMILES CC(C)n1c(nc2ccccc12)C1CCCN(C1)C(=O)c1ccnc(c1)N(C)C
Show InChI InChI=1S/C23H29N5O/c1-16(2)28-20-10-6-5-9-19(20)25-22(28)18-8-7-13-27(15-18)23(29)17-11-12-24-21(14-17)26(3)4/h5-6,9-12,14,16,18H,7-8,13,15H2,1-4H3
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n/an/a 9.06E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10562882 (2020)


BindingDB Entry DOI: 10.7270/Q2SX6GNN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%