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Patent code US9422299

Compile Data Set for Download or QSAR

Found 205 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
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242764
PNG
(US9422299, 30)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H20N6O2S/c1-3-17-22-20(29-25-17)19-24-23-18-13(2)26(10-11-27(18)19)21(28)15-8-6-14(7-9-15)16-5-4-12-30-16/h4-9,12-13H,3,10-11H2,1-2H3/t13-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50112180
PNG
(CHEMBL3608688 | US9422299, 41)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(ns1)C(F)(F)F)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H12F4N6OS/c1-8-11-22-23-12(13-21-15(24-28-13)16(18,19)20)26(11)7-6-25(8)14(27)9-2-4-10(17)5-3-9/h2-5,8H,6-7H2,1H3/t8-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242740
PNG
(US9422299, 1)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242741
PNG
(US9422299, 2)
Show SMILES CCc1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6OS/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50112181
PNG
(CHEMBL3608687 | US9422299, 3)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242742
PNG
(US9422299, 4)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H14ClFN6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50112244
PNG
(CHEMBL3608680 | US9422299, 5)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242743
PNG
(US9422299, 6)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H14ClFN6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-12(18)11(17)7-10/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242745
PNG
(US9422299, 8)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(F)c1F
Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)6-5-24(7)16(26)9-3-4-10(17)12(19)11(9)18/h3-4,7H,5-6H2,1-2H3/t7-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242744
PNG
(US9422299, 7)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)4-3-24(7)16(26)9-5-10(17)12(19)11(18)6-9/h5-7H,3-4H2,1-2H3/t7-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242772
PNG
(US9422299, 38)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242773
PNG
(US9422299, 39)
Show SMILES CCc1nsc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6OS/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242746
PNG
(US9422299, 9)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US9422299, 10)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50112245
PNG
(CHEMBL3608741 | US9422299, 11)
Show SMILES Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3/t13-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242768
PNG
(US9422299, 34)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)4-3-24(7)16(26)9-5-10(17)12(19)11(18)6-9/h5-7H,3-4H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242749
PNG
(US9422299, 13)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242771
PNG
(US9422299, 37)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242750
PNG
(US9422299, 14)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242770
PNG
(US9422299, 36)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H14ClFN6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242777
PNG
(US9422299, 44)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242751
PNG
(US9422299, 15)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)7-6-22(9)16(24)11-4-3-5-12(17)8-11/h3-5,8-9H,6-7H2,1-2H3/t9-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242775
PNG
(US9422299, 42)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(ns1)C(F)F)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H13F3N6OS/c1-8-13-21-22-14(15-20-12(11(18)19)23-27-15)25(13)7-6-24(8)16(26)9-2-4-10(17)5-3-9/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242752
PNG
(US9422299, 16)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)7-6-22(9)16(24)11-4-3-5-12(17)8-11/h3-5,8-9H,6-7H2,1-2H3/t9-/m1/s1
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49n/an/an/an/an/an/an/an/a



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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242753
PNG
(US9422299, 17)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)4-3-23(8)16(25)10-5-11(17)7-12(18)6-10/h5-8H,3-4H2,1-2H3/t8-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242754
PNG
(US9422299, 18)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242755
PNG
(US9422299, 19)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H18N6OS/c1-10-4-6-13(7-5-10)17(24)22-8-9-23-14(11(22)2)19-20-15(23)16-18-12(3)21-25-16/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242748
PNG
(US9422299, 12)
Show SMILES Cc1nsc(n1)-c1nnc2C(CCO)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242766
PNG
(US9422299, 32)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242776
PNG
(US9422299, 43)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(no1)C(C)(F)F)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H15F3N6O2/c1-9-12-22-23-13(14-21-16(24-28-14)17(2,19)20)26(12)8-7-25(9)15(27)10-3-5-11(18)6-4-10/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50112179
PNG
(CHEMBL3608740 | US9422299, 20)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H16N6OS/c1-10-13-18-19-14(15-17-11(2)20-24-15)22(13)9-8-21(10)16(23)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242756
PNG
(US9422299, 21)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6OS/c1-9-13-22-23-14(15-21-10(2)24-28-15)26(13)8-7-25(9)16(27)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242757
PNG
(US9422299, 22)
Show SMILES CC[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6OS/c1-3-13-14-20-21-15(16-19-10(2)22-26-16)24(14)9-8-23(13)17(25)11-4-6-12(18)7-5-11/h4-7,13H,3,8-9H2,1-2H3/t13-/m1/s1
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The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242765
PNG
(US9422299, 31)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242769
PNG
(US9422299, 35)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H14ClFN6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-12(18)11(17)7-10/h3-4,7-8H,5-6H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242759
PNG
(US9422299, 24)
Show SMILES CCC[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6OS/c1-3-4-14-15-21-22-16(17-20-11(2)23-27-17)25(15)10-9-24(14)18(26)12-5-7-13(19)8-6-12/h5-8,14H,3-4,9-10H2,1-2H3/t14-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242779
PNG
(US9422299, 45-1 | US9422299, 45-2)
Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242774
PNG
(US9422299, 40)
Show SMILES CCc1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242760
PNG
(US9422299, 25)
Show SMILES COc1cc(ccc1F)C(=O)N1CCn2c(nnc2-c2nc(C)ns2)[C@H]1C
Show InChI InChI=1S/C17H17FN6O2S/c1-9-14-20-21-15(16-19-10(2)22-27-16)24(14)7-6-23(9)17(25)11-4-5-12(18)13(8-11)26-3/h4-5,8-9H,6-7H2,1-3H3/t9-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242761
PNG
(US9422299, 26)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1C
Show InChI InChI=1S/C17H18N6OS/c1-10-6-4-5-7-13(10)17(24)22-8-9-23-14(11(22)2)19-20-15(23)16-18-12(3)21-25-16/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242767
PNG
(US9422299, 33)
Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(F)c1F
Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)6-5-24(7)16(26)9-3-4-10(17)12(19)11(9)18/h3-4,7H,5-6H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242779
PNG
(US9422299, 45-1 | US9422299, 45-2)
Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242762
PNG
(US9422299, 27)
Show SMILES COc1cccc(c1)C(=O)N1CCn2c(nnc2-c2nc(C)ns2)[C@H]1C
Show InChI InChI=1S/C17H18N6O2S/c1-10-14-19-20-15(16-18-11(2)21-26-16)23(14)8-7-22(10)17(24)12-5-4-6-13(9-12)25-3/h4-6,9-10H,7-8H2,1-3H3/t10-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242778
PNG
(US9422299, 45)
Show SMILES CC(F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9?,10-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50112243
PNG
(CHEMBL3608682 | US9422299, 28)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN6O2/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242763
PNG
(US9422299, 29)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H15N7OS/c1-10-14-20-21-15(16-19-11(2)22-26-16)24(14)8-7-23(10)17(25)13-5-3-12(9-18)4-6-13/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM242758
PNG
(US9422299, 23)
Show SMILES CCC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6OS/c1-3-13-14-20-21-15(16-19-10(2)22-26-16)24(14)9-8-23(13)17(25)11-4-6-12(18)7-5-11/h4-7,13H,3,8-9H2,1-2H3
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Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM242740
PNG
(US9422299, 1)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
7.50E+3n/an/an/an/an/an/an/an/a



EUROSCREEN SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM242740
PNG
(US9422299, 1)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
1.03E+4n/an/an/an/an/an/an/an/a



EUROSCREEN SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM242742
PNG
(US9422299, 4)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H14ClFN6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-11(17)12(18)7-10/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.99E+4n/an/an/an/an/an/an/an/a



EUROSCREEN SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...


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