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Compile Data Set for Download or QSAR

Found 105 hits of ec50 data for polymerid = 49000795,5566   
Target
(Institution)
LigandTarget
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))
BDBM50432251
PNG
(CHEMBL2347505)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C55H85N13O17S/c1-6-30(4)45(54(84)58-27-42(71)60-35(23-29(2)3)48(78)61-32(46(57)76)19-22-86-5)67-51(81)36(24-31-13-8-7-9-14-31)63-49(79)38(26-44(74)75)65-50(80)37(25-43(72)73)64-47(77)33(15-10-11-20-56)62-52(82)39(28-69)66-53(83)40-16-12-21-68(40)55(85)34-17-18-41(70)59-34/h7-9,13-14,29-30,32-40,45,69H,6,10-12,15-28,56H2,1-5H3,(H2,57,76)(H,58,84)(H,59,70)(H,60,71)(H,61,78)(H,62,82)(H,63,79)(H,64,77)(H,65,80)(H,66,83)(H,67,81)(H,72,73)(H,74,75)/t30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,45-/m0/s1
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n/an/an/an/a 0.00540n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432272
PNG
(CHEMBL2347491)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C54H77N13O14S2/c1-30(2)21-38(51(78)62-36(46(56)73)17-19-82-5)61-43(68)28-58-53(80)42(23-33-15-11-8-12-16-33)67(4)54(81)41(22-32-13-9-7-10-14-32)66-47(74)31(3)60-50(77)40(26-45(71)72)65-52(79)39(24-34-27-57-29-59-34)64-49(76)37(18-20-83-6)63-48(75)35(55)25-44(69)70/h7-16,27,29-31,35-42H,17-26,28,55H2,1-6H3,(H2,56,73)(H,57,59)(H,58,80)(H,60,77)(H,61,68)(H,62,78)(H,63,75)(H,64,76)(H,65,79)(H,66,74)(H,69,70)(H,71,72)/t31-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 0.0120n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50299467
PNG
((5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidaz...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/an/an/a 0.0130n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432243
PNG
(CHEMBL2347513)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C57H79N15O14S2/c1-32(2)20-40(52(81)66-38(49(59)78)16-18-87-4)65-46(73)29-62-56(85)45(22-34-14-10-7-11-15-34)72(3)57(86)44(21-33-12-8-6-9-13-33)71-54(83)42(24-36-28-61-31-64-36)69-55(84)43(26-48(76)77)70-53(82)41(23-35-27-60-30-63-35)68-51(80)39(17-19-88-5)67-50(79)37(58)25-47(74)75/h6-15,27-28,30-32,37-45H,16-26,29,58H2,1-5H3,(H2,59,78)(H,60,63)(H,61,64)(H,62,85)(H,65,73)(H,66,81)(H,67,79)(H,68,80)(H,69,84)(H,70,82)(H,71,83)(H,74,75)(H,76,77)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 0.0170n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432246
PNG
(CHEMBL2347510)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C56H79N13O16S2/c1-31(2)22-39(52(81)63-36(48(58)77)18-20-86-4)62-44(70)29-60-55(84)43(24-33-14-10-7-11-15-33)69(3)56(85)42(23-32-12-8-6-9-13-32)68-50(79)37(16-17-45(71)72)65-54(83)41(27-47(75)76)67-53(82)40(25-34-28-59-30-61-34)66-51(80)38(19-21-87-5)64-49(78)35(57)26-46(73)74/h6-15,28,30-31,35-43H,16-27,29,57H2,1-5H3,(H2,58,77)(H,59,61)(H,60,84)(H,62,70)(H,63,81)(H,64,78)(H,65,83)(H,66,80)(H,67,82)(H,68,79)(H,71,72)(H,73,74)(H,75,76)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 0.0240n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432244
PNG
(CHEMBL2347512)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C57H84N14O14S2/c1-33(2)24-41(53(81)65-38(49(60)77)19-22-86-4)64-46(72)31-62-56(84)45(26-35-16-10-7-11-17-35)71(3)57(85)44(25-34-14-8-6-9-15-34)70-51(79)39(18-12-13-21-58)67-55(83)43(29-48(75)76)69-54(82)42(27-36-30-61-32-63-36)68-52(80)40(20-23-87-5)66-50(78)37(59)28-47(73)74/h6-11,14-17,30,32-33,37-45H,12-13,18-29,31,58-59H2,1-5H3,(H2,60,77)(H,61,63)(H,62,84)(H,64,72)(H,65,81)(H,66,78)(H,67,83)(H,68,80)(H,69,82)(H,70,79)(H,73,74)(H,75,76)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 0.0260n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432267
PNG
(CHEMBL2347496)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C56H81N13O14S3/c1-32(2)23-40(52(79)63-37(48(58)75)17-20-84-4)62-45(70)30-60-55(82)44(25-34-15-11-8-12-16-34)69(3)56(83)43(24-33-13-9-7-10-14-33)68-51(78)39(19-22-86-6)65-54(81)42(28-47(73)74)67-53(80)41(26-35-29-59-31-61-35)66-50(77)38(18-21-85-5)64-49(76)36(57)27-46(71)72/h7-16,29,31-32,36-44H,17-28,30,57H2,1-6H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,79)(H,64,76)(H,65,81)(H,66,77)(H,67,80)(H,68,78)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 0.0320n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432265
PNG
(CHEMBL2347498)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C53H75N13O14S2/c1-30(2)20-37(50(77)62-35(46(55)73)16-18-81-4)60-42(67)28-58-52(79)41(22-32-14-10-7-11-15-32)66(3)53(80)40(21-31-12-8-6-9-13-31)61-43(68)27-57-48(75)39(25-45(71)72)65-51(78)38(23-33-26-56-29-59-33)64-49(76)36(17-19-82-5)63-47(74)34(54)24-44(69)70/h6-15,26,29-30,34-41H,16-25,27-28,54H2,1-5H3,(H2,55,73)(H,56,59)(H,57,75)(H,58,79)(H,60,67)(H,61,68)(H,62,77)(H,63,74)(H,64,76)(H,65,78)(H,69,70)(H,71,72)/t34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 0.0360n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432271
PNG
(CHEMBL2347492)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C55H78N14O15S2/c1-30(2)20-37(50(79)63-35(47(58)76)16-18-85-4)62-44(71)28-60-54(83)42(22-32-14-10-7-11-15-32)69(3)55(84)41(21-31-12-8-6-9-13-31)68-52(81)39(25-43(57)70)66-53(82)40(26-46(74)75)67-51(80)38(23-33-27-59-29-61-33)65-49(78)36(17-19-86-5)64-48(77)34(56)24-45(72)73/h6-15,27,29-30,34-42H,16-26,28,56H2,1-5H3,(H2,57,70)(H2,58,76)(H,59,61)(H,60,83)(H,62,71)(H,63,79)(H,64,77)(H,65,78)(H,66,82)(H,67,80)(H,68,81)(H,72,73)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 0.0360n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432248
PNG
(CHEMBL2347508)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C64H97N15O18S/c1-35(2)28-43(58(91)71-40(54(68)87)24-27-98-6)70-50(82)33-69-61(94)48(30-38-18-11-8-12-19-38)78(5)63(96)45(29-37-16-9-7-10-17-37)75-57(90)42(22-23-49(67)81)72-59(92)44(32-52(85)86)74-60(93)46(34-80)76-56(89)41(20-13-14-25-65)73-62(95)47-21-15-26-79(47)64(97)53(36(3)4)77-55(88)39(66)31-51(83)84/h7-12,16-19,35-36,39-48,53,80H,13-15,20-34,65-66H2,1-6H3,(H2,67,81)(H2,68,87)(H,69,94)(H,70,82)(H,71,91)(H,72,92)(H,73,95)(H,74,93)(H,75,90)(H,76,89)(H,77,88)(H,83,84)(H,85,86)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1
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n/an/an/an/a 0.0380n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432247
PNG
(CHEMBL2347509)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C55H77N13O16S2/c1-30(2)20-37(50(79)62-35(47(57)76)16-18-85-4)61-43(69)28-59-54(83)42(22-32-14-10-7-11-15-32)68(3)55(84)41(21-31-12-8-6-9-13-31)67-53(82)40(26-46(74)75)66-52(81)39(25-45(72)73)65-51(80)38(23-33-27-58-29-60-33)64-49(78)36(17-19-86-5)63-48(77)34(56)24-44(70)71/h6-15,27,29-30,34-42H,16-26,28,56H2,1-5H3,(H2,57,76)(H,58,60)(H,59,83)(H,61,69)(H,62,79)(H,63,77)(H,64,78)(H,65,80)(H,66,81)(H,67,82)(H,70,71)(H,72,73)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432269
PNG
(CHEMBL2347494)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C54H77N13O15S2/c1-30(2)20-37(49(77)61-35(46(56)74)16-18-83-4)60-43(69)27-58-53(81)42(22-32-14-10-7-11-15-32)67(3)54(82)40(21-31-12-8-6-9-13-31)65-52(80)41(28-68)66-51(79)39(25-45(72)73)64-50(78)38(23-33-26-57-29-59-33)63-48(76)36(17-19-84-5)62-47(75)34(55)24-44(70)71/h6-15,26,29-30,34-42,68H,16-25,27-28,55H2,1-5H3,(H2,56,74)(H,57,59)(H,58,81)(H,60,69)(H,61,77)(H,62,75)(H,63,76)(H,64,78)(H,65,80)(H,66,79)(H,70,71)(H,72,73)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432266
PNG
(CHEMBL2347497)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C56H79N13O14S2/c1-32(2)23-39(51(78)63-37(48(58)75)18-21-84-4)62-45(70)30-60-53(80)44(25-34-15-10-7-11-16-34)68(3)55(82)41(24-33-13-8-6-9-14-33)67-54(81)43-17-12-20-69(43)56(83)42(28-47(73)74)66-52(79)40(26-35-29-59-31-61-35)65-50(77)38(19-22-85-5)64-49(76)36(57)27-46(71)72/h6-11,13-16,29,31-32,36-44H,12,17-28,30,57H2,1-5H3,(H2,58,75)(H,59,61)(H,60,80)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,79)(H,67,81)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 0.0410n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432270
PNG
(CHEMBL2347493)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C56H80N14O15S2/c1-31(2)22-39(52(81)64-36(48(59)77)18-20-86-4)63-45(72)29-61-55(84)43(24-33-14-10-7-11-15-33)70(3)56(85)42(23-32-12-8-6-9-13-32)69-50(79)37(16-17-44(58)71)66-54(83)41(27-47(75)76)68-53(82)40(25-34-28-60-30-62-34)67-51(80)38(19-21-87-5)65-49(78)35(57)26-46(73)74/h6-15,28,30-31,35-43H,16-27,29,57H2,1-5H3,(H2,58,71)(H2,59,77)(H,60,62)(H,61,84)(H,63,72)(H,64,81)(H,65,78)(H,66,83)(H,67,80)(H,68,82)(H,69,79)(H,73,74)(H,75,76)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 0.0430n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432268
PNG
(CHEMBL2347495)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C55H79N13O15S2/c1-30(2)21-38(50(78)62-36(47(57)75)17-19-84-5)61-43(70)28-59-53(81)42(23-33-15-11-8-12-16-33)68(4)55(83)41(22-32-13-9-7-10-14-32)66-54(82)46(31(3)69)67-52(80)40(26-45(73)74)65-51(79)39(24-34-27-58-29-60-34)64-49(77)37(18-20-85-6)63-48(76)35(56)25-44(71)72/h7-16,27,29-31,35-42,46,69H,17-26,28,56H2,1-6H3,(H2,57,75)(H,58,60)(H,59,81)(H,61,70)(H,62,78)(H,63,76)(H,64,77)(H,65,79)(H,66,82)(H,67,80)(H,71,72)(H,73,74)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,46+/m1/s1
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n/an/an/an/a 0.0460n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432274
PNG
(CHEMBL2347489)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C57H83N13O14S2/c1-32(2)22-40(52(79)64-38(49(59)76)18-20-85-6)63-46(71)30-61-56(83)45(25-35-16-12-9-13-17-35)70(5)57(84)44(24-34-14-10-8-11-15-34)69-53(80)41(23-33(3)4)66-55(82)43(28-48(74)75)68-54(81)42(26-36-29-60-31-62-36)67-51(78)39(19-21-86-7)65-50(77)37(58)27-47(72)73/h8-17,29,31-33,37-45H,18-28,30,58H2,1-7H3,(H2,59,76)(H,60,62)(H,61,83)(H,63,71)(H,64,79)(H,65,77)(H,66,82)(H,67,78)(H,68,81)(H,69,80)(H,72,73)(H,74,75)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 0.0510n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432273
PNG
(CHEMBL2347490)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C57H83N13O14S2/c1-8-33(4)48(69-54(81)42(28-47(74)75)67-53(80)41(26-36-29-60-31-62-36)66-51(78)39(20-22-86-7)65-50(77)37(58)27-46(72)73)56(83)68-43(24-34-15-11-9-12-16-34)57(84)70(5)44(25-35-17-13-10-14-18-35)55(82)61-30-45(71)63-40(23-32(2)3)52(79)64-38(49(59)76)19-21-85-6/h9-18,29,31-33,37-44,48H,8,19-28,30,58H2,1-7H3,(H2,59,76)(H,60,62)(H,61,82)(H,63,71)(H,64,79)(H,65,77)(H,66,78)(H,67,80)(H,68,83)(H,69,81)(H,72,73)(H,74,75)/t33?,37-,38-,39-,40-,41-,42-,43-,44-,48-/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432275
PNG
(CHEMBL2347488)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(23-33-14-10-8-11-15-33)67-55(82)47(32(3)4)68-53(80)41(27-46(73)74)66-52(79)40(25-35-28-59-30-61-35)65-50(77)38(19-21-85-7)64-49(76)36(57)26-45(71)72/h8-17,28,30-32,36-43,47H,18-27,29,57H2,1-7H3,(H2,58,75)(H,59,61)(H,60,81)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,79)(H,67,82)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
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n/an/an/an/a 0.0650n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432250
PNG
(CHEMBL2347506)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C58H85N13O15S/c1-33(2)27-40(53(81)65-37(49(60)77)23-26-87-5)64-47(74)31-61-55(83)45(29-36-17-10-7-11-18-36)70(4)57(85)42(28-35-15-8-6-9-16-35)68-50(78)34(3)62-52(80)41(30-48(75)76)67-51(79)38(19-12-13-24-59)66-54(82)43(32-72)69-56(84)44-20-14-25-71(44)58(86)39-21-22-46(73)63-39/h6-11,15-18,33-34,37-45,72H,12-14,19-32,59H2,1-5H3,(H2,60,77)(H,61,83)(H,62,80)(H,63,73)(H,64,74)(H,65,81)(H,66,82)(H,67,79)(H,68,78)(H,69,84)(H,75,76)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 0.0710n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432242
PNG
(CHEMBL2347361)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C60H81N13O15S2/c1-34(2)24-43(55(83)67-41(52(62)80)20-22-89-4)66-49(75)32-64-59(87)48(27-36-14-10-7-11-15-36)73(3)60(88)47(26-35-12-8-6-9-13-35)72-56(84)44(25-37-16-18-39(74)19-17-37)69-58(86)46(30-51(78)79)71-57(85)45(28-38-31-63-33-65-38)70-54(82)42(21-23-90-5)68-53(81)40(61)29-50(76)77/h6-19,31,33-34,40-48,74H,20-30,32,61H2,1-5H3,(H2,62,80)(H,63,65)(H,64,87)(H,66,75)(H,67,83)(H,68,81)(H,69,86)(H,70,82)(H,71,85)(H,72,84)(H,76,77)(H,78,79)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/an/an/a 0.0720n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432259
PNG
(CHEMBL2347662)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C59H85N13O17S/c1-33(2)26-39(52(82)65-36(50(61)80)22-25-90-4)64-47(75)31-62-56(86)45(28-35-16-9-6-10-17-35)71(3)58(88)42(27-34-14-7-5-8-15-34)69-54(84)41(30-49(78)79)68-53(83)40(29-48(76)77)67-51(81)37(18-11-12-23-60)66-55(85)43(32-73)70-57(87)44-19-13-24-72(44)59(89)38-20-21-46(74)63-38/h5-10,14-17,33,36-45,73H,11-13,18-32,60H2,1-4H3,(H2,61,80)(H,62,86)(H,63,74)(H,64,75)(H,65,82)(H,66,85)(H,67,81)(H,68,83)(H,69,84)(H,70,87)(H,76,77)(H,78,79)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 0.0780n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432264
PNG
(CHEMBL2347657)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C55H81N13O17S/c1-28(2)23-34(48(78)61-31(46(57)76)19-22-86-5)60-42(71)27-58-53(83)45(29(3)4)66-50(80)35(24-30-11-7-6-8-12-30)63-47(77)32(16-18-43(72)73)62-49(79)36(26-44(74)75)64-51(81)38-13-10-21-68(38)55(85)37(25-40(56)69)65-52(82)39-14-9-20-67(39)54(84)33-15-17-41(70)59-33/h6-8,11-12,28-29,31-39,45H,9-10,13-27H2,1-5H3,(H2,56,69)(H2,57,76)(H,58,83)(H,59,70)(H,60,71)(H,61,78)(H,62,79)(H,63,77)(H,64,81)(H,65,82)(H,66,80)(H,72,73)(H,74,75)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,45-/m0/s1
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n/an/an/an/a 0.0790n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432245
PNG
(CHEMBL2347511)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C57H84N16O14S2/c1-32(2)23-40(52(83)67-37(48(59)79)18-21-88-4)66-45(74)30-64-55(86)44(25-34-15-10-7-11-16-34)73(3)56(87)43(24-33-13-8-6-9-14-33)72-50(81)38(17-12-20-63-57(60)61)69-54(85)42(28-47(77)78)71-53(84)41(26-35-29-62-31-65-35)70-51(82)39(19-22-89-5)68-49(80)36(58)27-46(75)76/h6-11,13-16,29,31-32,36-44H,12,17-28,30,58H2,1-5H3,(H2,59,79)(H,62,65)(H,64,86)(H,66,74)(H,67,83)(H,68,80)(H,69,85)(H,70,82)(H,71,84)(H,72,81)(H,75,76)(H,77,78)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 0.0800n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432262
PNG
(CHEMBL2347659)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C59H81N13O17S/c1-32(2)25-37(51(81)65-35(50(61)80)21-24-90-4)64-47(75)31-62-54(84)44(27-34-15-9-6-10-16-34)70(3)57(87)40(26-33-13-7-5-8-14-33)68-53(83)38(29-48(76)77)66-52(82)39(30-49(78)79)67-55(85)42-17-12-23-72(42)59(89)41(28-45(60)73)69-56(86)43-18-11-22-71(43)58(88)36-19-20-46(74)63-36/h5-10,13-16,32,35-44H,11-12,17-31H2,1-4H3,(H2,60,73)(H2,61,80)(H,62,84)(H,63,74)(H,64,75)(H,65,81)(H,66,82)(H,67,85)(H,68,83)(H,69,86)(H,76,77)(H,78,79)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 0.0830n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432258
PNG
(CHEMBL2347499)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C63H94N14O19S/c1-34(2)26-41(56(89)69-39(53(66)86)22-25-97-6)68-48(79)32-67-60(93)47(28-37-18-11-8-12-19-37)76(5)62(95)44(27-36-16-9-7-10-17-36)73-58(91)43(31-51(84)85)71-57(90)42(30-50(82)83)72-59(92)45(33-78)74-55(88)40(20-13-14-23-64)70-61(94)46-21-15-24-77(46)63(96)52(35(3)4)75-54(87)38(65)29-49(80)81/h7-12,16-19,34-35,38-47,52,78H,13-15,20-33,64-65H2,1-6H3,(H2,66,86)(H,67,93)(H,68,79)(H,69,89)(H,70,94)(H,71,90)(H,72,92)(H,73,91)(H,74,88)(H,75,87)(H,80,81)(H,82,83)(H,84,85)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
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n/an/an/an/a 0.0850n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432256
PNG
(CHEMBL2347501)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C50H71N11O17S/c1-26(2)18-32(45(73)57-31(43(52)71)16-17-79-5)55-37(63)24-53-48(76)36(20-29-14-10-7-11-15-29)61(4)50(78)35(19-28-12-8-6-9-13-28)59-47(75)34(23-41(69)70)58-46(74)33(22-40(67)68)56-38(64)25-54-49(77)42(27(3)62)60-44(72)30(51)21-39(65)66/h6-15,26-27,30-36,42,62H,16-25,51H2,1-5H3,(H2,52,71)(H,53,76)(H,54,77)(H,55,63)(H,56,64)(H,57,73)(H,58,74)(H,59,75)(H,60,72)(H,65,66)(H,67,68)(H,69,70)/t27-,30+,31+,32+,33+,34+,35+,36+,42+/m1/s1
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n/an/an/an/a 0.110n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432261
PNG
(UPEROLEIN)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C56H79N13O15S/c1-30(2)24-37(51(79)63-35(47(58)75)20-23-85-4)62-46(74)28-59-49(77)38(26-33-14-16-34(71)17-15-33)65-52(80)39(25-32-10-6-5-7-11-32)64-48(76)31(3)60-50(78)40(27-44(57)72)66-53(81)42-12-9-22-69(42)56(84)41(29-70)67-54(82)43-13-8-21-68(43)55(83)36-18-19-45(73)61-36/h5-7,10-11,14-17,30-31,35-43,70-71H,8-9,12-13,18-29H2,1-4H3,(H2,57,72)(H2,58,75)(H,59,77)(H,60,78)(H,61,73)(H,62,74)(H,63,79)(H,64,76)(H,65,80)(H,66,81)(H,67,82)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 0.120n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432260
PNG
(CHEMBL2347661)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C58H81N13O16S/c1-32(2)25-37(50(79)64-35(49(60)78)21-24-88-4)63-47(75)30-61-53(82)44(27-34-15-9-6-10-16-34)69(3)56(85)40(26-33-13-7-5-8-14-33)67-52(81)39(29-48(76)77)65-51(80)38(28-45(59)73)66-54(83)42-17-12-23-71(42)58(87)41(31-72)68-55(84)43-18-11-22-70(43)57(86)36-19-20-46(74)62-36/h5-10,13-16,32,35-44,72H,11-12,17-31H2,1-4H3,(H2,59,73)(H2,60,78)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,80)(H,66,83)(H,67,81)(H,68,84)(H,76,77)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 0.130n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432254
PNG
(CHEMBL2347502)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C57H79N13O17S/c1-30(2)23-36(51(81)64-34(48(59)78)20-22-88-5)63-45(73)29-60-54(84)42(25-33-15-10-7-11-16-33)69(4)56(86)39(24-32-13-8-6-9-14-32)68-53(83)38(27-46(74)75)65-52(82)37(26-43(58)71)66-55(85)41-17-12-21-70(41)57(87)40(28-47(76)77)67-49(79)31(3)61-50(80)35-18-19-44(72)62-35/h6-11,13-16,30-31,34-42H,12,17-29H2,1-5H3,(H2,58,71)(H2,59,78)(H,60,84)(H,61,80)(H,62,72)(H,63,73)(H,64,81)(H,65,82)(H,66,85)(H,67,79)(H,68,83)(H,74,75)(H,76,77)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 0.150n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50281562
PNG
(Asp-Val-Pro-Lys-Ser-Asp-Gln-Phe-Val-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H94N14O19S/c1-30(2)24-38(53(86)65-35(49(62)82)20-23-93-7)64-43(75)28-63-58(91)47(31(3)4)71-55(88)39(25-33-14-9-8-10-15-33)68-52(85)37(18-19-44(76)77)66-54(87)40(27-46(80)81)69-56(89)41(29-74)70-51(84)36(16-11-12-21-60)67-57(90)42-17-13-22-73(42)59(92)48(32(5)6)72-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,74H,11-13,16-29,60-61H2,1-7H3,(H2,62,82)(H,63,91)(H,64,75)(H,65,86)(H,66,87)(H,67,90)(H,68,85)(H,69,89)(H,70,84)(H,71,88)(H,72,83)(H,76,77)(H,78,79)(H,80,81)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,47-,48-/m0/s1
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n/an/an/an/a 0.210n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50194558
PNG
(CHEMBL373569 | ELEDOISIN)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1
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n/an/an/an/a 0.220n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432241
PNG
(CHEMBL2347362)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C62H82N14O14S2/c1-35(2)24-45(57(85)70-43(54(64)82)20-22-91-4)69-51(77)33-67-61(89)50(26-37-16-10-7-11-17-37)76(3)62(90)49(25-36-14-8-6-9-15-36)75-58(86)46(27-38-31-66-42-19-13-12-18-40(38)42)72-60(88)48(30-53(80)81)74-59(87)47(28-39-32-65-34-68-39)73-56(84)44(21-23-92-5)71-55(83)41(63)29-52(78)79/h6-19,31-32,34-35,41,43-50,66H,20-30,33,63H2,1-5H3,(H2,64,82)(H,65,68)(H,67,89)(H,69,77)(H,70,85)(H,71,83)(H,72,88)(H,73,84)(H,74,87)(H,75,86)(H,78,79)(H,80,81)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/an/a 0.280n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432249
PNG
(CHEMBL2347507)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C58H92N14O19S/c1-29(2)22-36(51(84)64-34(48(61)81)18-21-92-7)63-42(74)27-62-57(90)46(30(3)4)70-54(87)37(23-32-14-9-8-10-15-32)66-52(85)38(25-44(77)78)67-53(86)39(26-45(79)80)68-55(88)40(28-73)69-50(83)35(16-11-12-19-59)65-56(89)41-17-13-20-72(41)58(91)47(31(5)6)71-49(82)33(60)24-43(75)76/h8-10,14-15,29-31,33-41,46-47,73H,11-13,16-28,59-60H2,1-7H3,(H2,61,81)(H,62,90)(H,63,74)(H,64,84)(H,65,89)(H,66,85)(H,67,86)(H,68,88)(H,69,83)(H,70,87)(H,71,82)(H,75,76)(H,77,78)(H,79,80)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,46-,47-/m0/s1
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n/an/an/an/a 0.470n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50299467
PNG
((5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidaz...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 52: 7103-12 (2009)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50299467
PNG
((5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidaz...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/an/an/a 0.710n/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Agonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins


J Med Chem 55: 5061-76 (2012)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432263
PNG
(CHEMBL2347658)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C59H81N13O18S/c1-31(2)25-38(53(84)65-35(50(61)81)21-24-91-3)64-47(76)30-62-51(82)39(27-33-13-15-34(73)16-14-33)67-54(85)40(26-32-9-5-4-6-10-32)68-52(83)36(18-20-48(77)78)66-55(86)41(29-49(79)80)69-56(87)43-11-8-23-72(43)59(90)42(28-45(60)74)70-57(88)44-12-7-22-71(44)58(89)37-17-19-46(75)63-37/h4-6,9-10,13-16,31,35-44,73H,7-8,11-12,17-30H2,1-3H3,(H2,60,74)(H2,61,81)(H,62,82)(H,63,75)(H,64,76)(H,65,84)(H,66,86)(H,67,85)(H,68,83)(H,69,87)(H,70,88)(H,77,78)(H,79,80)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338379
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiop...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cccs1)S(C)=O)c1ccccc1
Show InChI InChI=1S/C24H22N2O2S2/c1-3-18(16-10-5-4-6-11-16)26-24(27)21-17-12-7-8-13-19(17)25-22(23(21)30(2)28)20-14-9-15-29-20/h4-15,18H,3H2,1-2H3,(H,26,27)/t18-,30?/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338372
PNG
(3-((R)-methylsulfinylmethyl)-2-phenyl-N-((S)-1-phe...)
Show SMILES CC[C@H](NC(=O)c1c(C[S@@](C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26N2O2S/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(22(25)18-32(2)31)20-14-8-5-9-15-20/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-,32+/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338380
PNG
(3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiop...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccsc1)S(C)=O)c1ccccc1
Show InChI InChI=1S/C24H22N2O2S2/c1-3-19(16-9-5-4-6-10-16)26-24(27)21-18-11-7-8-12-20(18)25-22(23(21)30(2)28)17-13-14-29-15-17/h4-15,19H,3H2,1-2H3,(H,26,27)/t19-,30?/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338374
PNG
((S)-3-(methylsulfonylmethyl)-2-phenyl-N-(1-phenylp...)
Show SMILES CC[C@H](NC(=O)c1c(CS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26N2O3S/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(20-14-8-5-9-15-20)22(25)18-33(2,31)32/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation


Bioorg Med Chem Lett 16: 5752-6 (2006)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338375
PNG
(3-(2-(methylsulfinyl)ethyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(CCS(C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N2O2S/c1-3-24(20-12-6-4-7-13-20)30-28(31)26-22-16-10-11-17-25(22)29-27(21-14-8-5-9-15-21)23(26)18-19-33(2)32/h4-17,24H,3,18-19H2,1-2H3,(H,30,31)/t24-,33?/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432255
PNG
(PHYSALAEMIN)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H82N14O16S/c1-30(2)25-38(52(82)65-35(48(60)78)21-24-88-4)64-45(75)29-61-56(86)47(33-15-17-34(72)18-16-33)70-54(84)39(26-32-11-6-5-7-12-32)67-51(81)36(13-8-9-22-58)66-53(83)40(27-43(59)73)68-55(85)42-14-10-23-71(42)57(87)41(28-46(76)77)69-49(79)31(3)62-50(80)37-19-20-44(74)63-37/h5-7,11-12,15-18,30-31,35-42,47,72H,8-10,13-14,19-29,58H2,1-4H3,(H2,59,73)(H2,60,78)(H,61,86)(H,62,80)(H,63,74)(H,64,75)(H,65,82)(H,66,83)(H,67,81)(H,68,85)(H,69,79)(H,70,84)(H,76,77)/t31?,35?,36?,37-,38?,39?,40?,41?,42?,47?/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338396
PNG
(7-methyl-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phen...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(C)ccc12)-c1ccccc1)S(C)=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2S/c1-4-22(19-11-7-5-8-12-19)29-27(30)24-21-16-15-18(2)17-23(21)28-25(26(24)32(3)31)20-13-9-6-10-14-20/h5-17,22H,4H2,1-3H3,(H,29,30)/t22-,32?/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338369
PNG
(3-((S)-methylsulfinyl)-2-phenyl-N-((S)-1-phenylpro...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)[S@](C)=O)c1ccccc1
Show InChI InChI=1S/C26H24N2O2S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)31(2)30)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-,31-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338368
PNG
(3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(C)=O)c1ccccc1
Show InChI InChI=1S/C26H24N2O2S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)31(2)30)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-,31?/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432252
PNG
(CHEMBL2347504)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C62H94N16O15S/c1-36(2)30-42(53(85)71-40(52(65)84)24-29-94-4)70-49(79)35-69-56(88)48(32-38-18-9-6-10-19-38)76(3)60(92)45(31-37-16-7-5-8-17-37)75-55(87)43(33-50(80)81)73-54(86)44(34-51(82)83)74-58(90)47-23-15-28-78(47)61(93)41(21-13-26-68-62(66)67)72-57(89)46-22-14-27-77(46)59(91)39(64)20-11-12-25-63/h5-10,16-19,36,39-48H,11-15,20-35,63-64H2,1-4H3,(H2,65,84)(H,69,88)(H,70,79)(H,71,85)(H,72,89)(H,73,86)(H,74,90)(H,75,87)(H,80,81)(H,82,83)(H4,66,67,68)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338395
PNG
(7-bromo-3-(methylsulfinyl)-2-phenyl-N-((S)-1-pheny...)
Show SMILES CC[C@H](NC(=O)c1c(c(nc2cc(Br)ccc12)-c1ccccc1)S(C)=O)c1ccccc1
Show InChI InChI=1S/C26H23BrN2O2S/c1-3-21(17-10-6-4-7-11-17)29-26(30)23-20-15-14-19(27)16-22(20)28-24(25(23)32(2)31)18-12-8-5-9-13-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
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n/an/an/an/a 5.10n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50338373
PNG
(3-((S)-methylsulfinylmethyl)-2-phenyl-N-((S)-1-phe...)
Show SMILES CC[C@H](NC(=O)c1c(C[S@](C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26N2O2S/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(22(25)18-32(2)31)20-14-8-5-9-15-20/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-,32-/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1896-9 (2011)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50194558
PNG
(CHEMBL373569 | ELEDOISIN)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells


Bioorg Med Chem Lett 16: 5748-51 (2006)

More data for this
Ligand-Target Pair
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