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29 molecules are shown

Compile data set for download or QSAR
Wt: 1361.6
BDBM50030157
Wt: 1361.6
BDBM50030159
Wt: 1345.6
BDBM50030167
Wt: 1345.6
BDBM50030170
Wt: 1375.6
BDBM50030559
Wt: 1290.5
BDBM50229589
Wt: 1306.5
BDBM50229590
Wt: 1249.5
BDBM50229591
Wt: 1191.4
BDBM50229592
Purchase
Wt: 869.0
BDBM50283252
Wt: 911.0
BDBM50283257
Wt: 1393.6
BDBM50335566
Wt: 1335.5
BDBM50432252
Wt: 1350.5
BDBM50432253
<<  First   |  Previous   |  Displayed 16 to 29 (of 29 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50030157,50030159,50030167,50030170,50030559,50229589,50229590,50229591,50229592,50283252,50283257,50335566,50432252,50432253   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))
BDBM50335566
PNG
(CHEMBL1651026 | Substance P [Sar9,Met(O2)11])
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human NK1 receptor by radioligand displacement assay


Eur J Med Chem 63: 85-94 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.044
BindingDB Entry DOI: 10.7270/Q2JH3NKC
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50335566
PNG
(CHEMBL1651026 | Substance P [Sar9,Met(O2)11])
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Sanofi-Synthélabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 1171-9 (2002)


Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50283257
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Bolton-Hunter Substance P to NK-1 receptors in the guinea pig cerebral...


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50283252
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-carba...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O
Show InChI InChI=1S/C41H60N10O9S/c1-24(2)20-30(40(59)48-28(36(45)55)18-19-61-3)47-35(54)23-46-38(57)31(21-25-10-6-4-7-11-25)50-41(60)32(22-26-12-8-5-9-13-26)51-39(58)29(15-17-34(44)53)49-37(56)27(42)14-16-33(43)52/h4-13,24,27-32H,14-23,42H2,1-3H3,(H2,43,52)(H2,44,53)(H2,45,55)(H,46,57)(H,47,54)(H,48,59)(H,49,56)(H,50,60)(H,51,58)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of [3H]-Senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50283257
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Neurokinin A to NK-2 receptors in the hamster urinary bladder


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50283257
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 276n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of [3H]-Senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50030559
PNG
(7S,8S-(betaMeF)2SP | CHEMBL2371143 | FVPTDVG-Tic-F...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)C(N)=O
Show InChI InChI=1S/C65H102N18O13S/c1-37(2)35-47(58(90)76-43(55(70)87)29-34-97-5)75-52(86)36-74-61(93)53(38(3)40-17-8-6-9-18-40)81-62(94)54(39(4)41-19-10-7-11-20-41)80-57(89)45(26-28-51(69)85)77-56(88)44(25-27-50(68)84)78-59(91)49-24-16-33-83(49)64(96)46(22-12-13-30-66)79-60(92)48-23-15-32-82(48)63(95)42(67)21-14-31-73-65(71)72/h6-11,17-20,37-39,42-49,53-54H,12-16,21-36,66-67H2,1-5H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,93)(H,75,86)(H,76,90)(H,77,88)(H,78,91)(H,79,92)(H,80,89)(H,81,94)(H4,71,72,73)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1
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n/an/a 146n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50229589
PNG
(Arg-Pro-Lys-Pro-Ala-Gln-Phe-Phe-Gly-Leu-Met-NH2 | ...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C61H95N17O12S/c1-36(2)32-44(55(85)72-41(51(65)81)26-31-91-4)71-50(80)35-69-53(83)45(33-38-16-7-5-8-17-38)75-56(86)46(34-39-18-9-6-10-19-39)76-54(84)42(24-25-49(64)79)73-52(82)37(3)70-57(87)47-22-15-30-78(47)60(90)43(21-11-12-27-62)74-58(88)48-23-14-29-77(48)59(89)40(63)20-13-28-68-61(66)67/h5-10,16-19,36-37,40-48H,11-15,20-35,62-63H2,1-4H3,(H2,64,79)(H2,65,81)(H,69,83)(H,70,87)(H,71,80)(H,72,85)(H,73,82)(H,74,88)(H,75,86)(H,76,84)(H4,66,67,68)/t37-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 0.740n/an/an/an/an/an/a



Mississippi State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Lys3-substance P from rat NK1 receptor expressed in CHO cells


J Med Chem 50: 6501-6 (2007)


Article DOI: 10.1021/jm070577s
BindingDB Entry DOI: 10.7270/Q2RX9BT2
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50229590
PNG
(Arg-Pro-Lys-Pro-Gln-Ser-Phe-Phe-Gly-Leu-Met-NH2 | ...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C61H95N17O13S/c1-36(2)31-43(54(85)71-40(51(65)82)25-30-92-3)70-50(81)34-69-52(83)44(32-37-15-6-4-7-16-37)74-55(86)45(33-38-17-8-5-9-18-38)75-56(87)46(35-79)76-53(84)41(23-24-49(64)80)72-57(88)48-22-14-29-78(48)60(91)42(20-10-11-26-62)73-58(89)47-21-13-28-77(47)59(90)39(63)19-12-27-68-61(66)67/h4-9,15-18,36,39-48,79H,10-14,19-35,62-63H2,1-3H3,(H2,64,80)(H2,65,82)(H,69,83)(H,70,81)(H,71,85)(H,72,88)(H,73,89)(H,74,86)(H,75,87)(H,76,84)(H4,66,67,68)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Mississippi State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Lys3-substance P from rat NK1 receptor expressed in CHO cells


J Med Chem 50: 6501-6 (2007)


Article DOI: 10.1021/jm070577s
BindingDB Entry DOI: 10.7270/Q2RX9BT2
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50229591
PNG
(Arg-Pro-Lys-Pro-Ala-Ser-Phe-Phe-Gly-Leu-Met-NH2 | ...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C59H92N16O12S/c1-35(2)30-42(52(81)69-40(49(62)78)24-29-88-4)68-48(77)33-66-51(80)43(31-37-16-7-5-8-17-37)71-53(82)44(32-38-18-9-6-10-19-38)72-54(83)45(34-76)73-50(79)36(3)67-55(84)46-22-15-28-75(46)58(87)41(21-11-12-25-60)70-56(85)47-23-14-27-74(47)57(86)39(61)20-13-26-65-59(63)64/h5-10,16-19,35-36,39-47,76H,11-15,20-34,60-61H2,1-4H3,(H2,62,78)(H,66,80)(H,67,84)(H,68,77)(H,69,81)(H,70,85)(H,71,82)(H,72,83)(H,73,79)(H4,63,64,65)/t36-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Mississippi State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Lys3-substance P from rat NK1 receptor expressed in CHO cells


J Med Chem 50: 6501-6 (2007)


Article DOI: 10.1021/jm070577s
BindingDB Entry DOI: 10.7270/Q2RX9BT2
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50229592
PNG
(CHEMBL238168 | Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(N)=O
Show InChI InChI=1S/C57H86N14O12S/c1-34(2)30-42(54(80)65-37(49(61)75)25-29-84-3)64-48(74)33-63-50(76)43(31-35-14-6-4-7-15-35)69-55(81)44(32-36-16-8-5-9-17-36)70-53(79)39(21-23-46(59)72)66-52(78)40(22-24-47(60)73)67-56(82)45-20-13-28-71(45)57(83)41(18-10-11-26-58)68-51(77)38-19-12-27-62-38/h4-9,14-17,34,37-45,62H,10-13,18-33,58H2,1-3H3,(H2,59,72)(H2,60,73)(H2,61,75)(H,63,76)(H,64,74)(H,65,80)(H,66,78)(H,67,82)(H,68,77)(H,69,81)(H,70,79)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Mississippi State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Lys3-substance P from rat NK1 receptor expressed in CHO cells


J Med Chem 50: 6501-6 (2007)


Article DOI: 10.1021/jm070577s
BindingDB Entry DOI: 10.7270/Q2RX9BT2
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50335566
PNG
(CHEMBL1651026 | Substance P [Sar9,Met(O2)11])
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human U373MG cells


Bioorg Med Chem 24: 1793-810 (2016)


Article DOI: 10.1016/j.bmc.2016.03.006
BindingDB Entry DOI: 10.7270/Q2J67JS7
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50030159
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Hph-Phe-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(59(91)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)48(36-40-17-8-5-9-18-40)80-58(90)43(24-23-39-15-6-4-7-16-39)76-56(88)44(25-27-51(67)83)77-57(89)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,91)(H,76,88)(H,77,89)(H,78,92)(H,79,93)(H,80,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-SP to Neurokinin-1 (NK-1) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030157
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030159
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Hph-Phe-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(59(91)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)48(36-40-17-8-5-9-18-40)80-58(90)43(24-23-39-15-6-4-7-16-39)76-56(88)44(25-27-51(67)83)77-57(89)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,91)(H,76,88)(H,77,89)(H,78,92)(H,79,93)(H,80,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50030167
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Met-Phe-Gly-Leu-Met | CHEM...)
Show SMILES CSCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[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/C60H100N18O13S2/c1-35(2)32-43(55(87)71-38(50(65)82)25-31-93-4)70-49(81)34-69-51(83)44(33-36-14-6-5-7-15-36)76-52(84)39(18-13-30-92-3)72-53(85)40(21-23-47(63)79)73-54(86)41(22-24-48(64)80)74-56(88)46-20-12-29-78(46)59(91)42(17-8-9-26-61)75-57(89)45-19-11-28-77(45)58(90)37(62)16-10-27-68-60(66)67/h5-7,14-15,35,37-46H,8-13,16-34,61-62H2,1-4H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,83)(H,70,81)(H,71,87)(H,72,85)(H,73,86)(H,74,88)(H,75,89)(H,76,84)(H4,66,67,68)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-SP to Neurokinin-1 (NK-1) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030157
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50030157
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-SP to Neurokinin-1 (NK-1) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50030170
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Met-Gly-Leu-Met | CHEM...)
Show SMILES CSCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C60H100N18O13S2/c1-35(2)32-43(54(86)71-38(50(65)82)25-31-93-4)70-49(81)34-69-51(83)39(18-13-30-92-3)72-55(87)44(33-36-14-6-5-7-15-36)76-53(85)40(21-23-47(63)79)73-52(84)41(22-24-48(64)80)74-56(88)46-20-12-29-78(46)59(91)42(17-8-9-26-61)75-57(89)45-19-11-28-77(45)58(90)37(62)16-10-27-68-60(66)67/h5-7,14-15,35,37-46H,8-13,16-34,61-62H2,1-4H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,83)(H,70,81)(H,71,86)(H,72,87)(H,73,84)(H,74,88)(H,75,89)(H,76,85)(H4,66,67,68)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-SP to Neurokinin-1 (NK-1) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030170
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Met-Gly-Leu-Met | CHEM...)
Show SMILES CSCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C60H100N18O13S2/c1-35(2)32-43(54(86)71-38(50(65)82)25-31-93-4)70-49(81)34-69-51(83)39(18-13-30-92-3)72-55(87)44(33-36-14-6-5-7-15-36)76-53(85)40(21-23-47(63)79)73-52(84)41(22-24-48(64)80)74-56(88)46-20-12-29-78(46)59(91)42(17-8-9-26-61)75-57(89)45-19-11-28-77(45)58(90)37(62)16-10-27-68-60(66)67/h5-7,14-15,35,37-46H,8-13,16-34,61-62H2,1-4H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,83)(H,70,81)(H,71,86)(H,72,87)(H,73,84)(H,74,88)(H,75,89)(H,76,85)(H4,66,67,68)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030167
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Met-Phe-Gly-Leu-Met | CHEM...)
Show SMILES CSCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[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/C60H100N18O13S2/c1-35(2)32-43(55(87)71-38(50(65)82)25-31-93-4)70-49(81)34-69-51(83)44(33-36-14-6-5-7-15-36)76-52(84)39(18-13-30-92-3)72-53(85)40(21-23-47(63)79)73-54(86)41(22-24-48(64)80)74-56(88)46-20-12-29-78(46)59(91)42(17-8-9-26-61)75-57(89)45-19-11-28-77(45)58(90)37(62)16-10-27-68-60(66)67/h5-7,14-15,35,37-46H,8-13,16-34,61-62H2,1-4H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,83)(H,70,81)(H,71,87)(H,72,85)(H,73,86)(H,74,88)(H,75,89)(H,76,84)(H4,66,67,68)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030159
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Hph-Phe-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(59(91)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)48(36-40-17-8-5-9-18-40)80-58(90)43(24-23-39-15-6-4-7-16-39)76-56(88)44(25-27-51(67)83)77-57(89)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,91)(H,76,88)(H,77,89)(H,78,92)(H,79,93)(H,80,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50335566
PNG
(CHEMBL1651026 | Substance P [Sar9,Met(O2)11])
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Binding affinity to human NK1 receptor by radioligand displacement assay


Bioorg Med Chem 21: 2764-71 (2013)


Article DOI: 10.1016/j.bmc.2013.03.016
BindingDB Entry DOI: 10.7270/Q2N87C5Q
More data for this
Ligand-Target Pair
Neuromedin-K 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)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50432253
PNG
(BUFOKININ)
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(N)=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/C62H95N17O15S/c1-35(2)30-43(55(88)72-40(52(66)85)24-29-95-3)71-50(82)34-70-53(86)44(32-37-18-20-38(80)21-19-37)75-56(89)45(31-36-12-5-4-6-13-36)76-54(87)41(22-23-49(65)81)73-57(90)46(33-51(83)84)77-59(92)48-17-11-28-79(48)61(94)42(15-9-26-69-62(67)68)74-58(91)47-16-10-27-78(47)60(93)39(64)14-7-8-25-63/h4-6,12-13,18-21,35,39-48,80H,7-11,14-17,22-34,63-64H2,1-3H3,(H2,65,81)(H2,66,85)(H,70,86)(H,71,82)(H,72,88)(H,73,90)(H,74,91)(H,75,89)(H,76,87)(H,77,92)(H,83,84)(H4,67,68,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/an/an/a 11n/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)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K 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/a 31n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis


Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50432253
PNG
(BUFOKININ)
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(N)=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/C62H95N17O15S/c1-35(2)30-43(55(88)72-40(52(66)85)24-29-95-3)71-50(82)34-70-53(86)44(32-37-18-20-38(80)21-19-37)75-56(89)45(31-36-12-5-4-6-13-36)76-54(87)41(22-23-49(65)81)73-57(90)46(33-51(83)84)77-59(92)48-17-11-28-79(48)61(94)42(15-9-26-69-62(67)68)74-58(91)47-16-10-27-78(47)60(93)39(64)14-7-8-25-63/h4-6,12-13,18-21,35,39-48,80H,7-11,14-17,22-34,63-64H2,1-3H3,(H2,65,81)(H2,66,85)(H,70,86)(H,71,82)(H,72,88)(H,73,90)(H,74,91)(H,75,89)(H,76,87)(H,77,92)(H,83,84)(H4,67,68,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 2.99E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis


Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50335566
PNG
(CHEMBL1651026 | Substance P [Sar9,Met(O2)11])
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human NK1 receptor by radioligand displacement assay


Eur J Med Chem 63: 85-94 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.044
BindingDB Entry DOI: 10.7270/Q2JH3NKC
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50335566
PNG
(CHEMBL1651026 | Substance P [Sar9,Met(O2)11])
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human tachykinin NK1 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50283252
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-carba...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O
Show InChI InChI=1S/C41H60N10O9S/c1-24(2)20-30(40(59)48-28(36(45)55)18-19-61-3)47-35(54)23-46-38(57)31(21-25-10-6-4-7-11-25)50-41(60)32(22-26-12-8-5-9-13-26)51-39(58)29(15-17-34(44)53)49-37(56)27(42)14-16-33(43)52/h4-13,24,27-32H,14-23,42H2,1-3H3,(H2,43,52)(H2,44,53)(H2,45,55)(H,46,57)(H,47,54)(H,48,59)(H,49,56)(H,50,60)(H,51,58)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Bolton-Hunter Substance P to NK-1 receptors in the guinea pig cerebral...


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50335566
PNG
(CHEMBL1651026 | Substance P [Sar9,Met(O2)11])
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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UniChem

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PubMed
n/an/a 1.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human U373MG cells measured after 30 mins by scintillation counting method


Bioorg Med Chem 25: 471-482 (2017)


Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50283252
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-carba...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O
Show InChI InChI=1S/C41H60N10O9S/c1-24(2)20-30(40(59)48-28(36(45)55)18-19-61-3)47-35(54)23-46-38(57)31(21-25-10-6-4-7-11-25)50-41(60)32(22-26-12-8-5-9-13-26)51-39(58)29(15-17-34(44)53)49-37(56)27(42)14-16-33(43)52/h4-13,24,27-32H,14-23,42H2,1-3H3,(H2,43,52)(H2,44,53)(H2,45,55)(H,46,57)(H,47,54)(H,48,59)(H,49,56)(H,50,60)(H,51,58)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 3.29E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Neurokinin A to NK-2 receptors in the hamster urinary bladder


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair