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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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