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29 similar compounds to monomer 50001450

Compile data set for download or QSAR
Wt: 852.0
BDBM50283254
Purchase
Wt: 1387.6
BDBM50070367
Wt: 1393.6
BDBM50033658
Wt: 2274.7
BDBM82445
Wt: 2024.4
BDBM82449
Wt: 3411.1
BDBM82453
Wt: 598.7
BDBM86147
Wt: 869.0
BDBM50016446
Wt: 737.9
BDBM50007830
Wt: 737.9
BDBM50007962
Wt: 1463.7
BDBM50030150
Wt: 1387.6
BDBM50030161
Wt: 1277.5
BDBM50009228
Wt: 737.9
BDBM50007823
Wt: 1313.6
BDBM50030146
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50283254,50070367,50033658,82445,82449,82453,86147,50016446,50007830,50007962,50030150,50030161,50009228,50007823,50030146   
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))
BDBM50070367
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-Leu-Met-NH2 | ...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=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(N)=O
Show InChI InChI=1S/C66H102N18O13S/c1-39(2)36-47(58(90)75-43(55(71)87)29-35-98-3)80-62(94)52-24-15-34-84(52)65(97)49(38-41-18-8-5-9-19-41)81-59(91)48(37-40-16-6-4-7-17-40)79-57(89)44(25-27-53(69)85)76-56(88)45(26-28-54(70)86)77-60(92)51-23-14-33-83(51)64(96)46(21-10-11-30-67)78-61(93)50-22-13-32-82(50)63(95)42(68)20-12-31-74-66(72)73/h4-9,16-19,39,42-52H,10-15,20-38,67-68H2,1-3H3,(H2,69,85)(H2,70,86)(H2,71,87)(H,75,90)(H,76,88)(H,77,92)(H,78,93)(H,79,89)(H,80,94)(H,81,91)(H4,72,73,74)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human tachykinin NK-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 1369-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00219-4
BindingDB Entry DOI: 10.7270/Q2M32W9S
More data for this
Ligand-Target Pair
NPFF


(RAT)
BDBM86147
PNG
(CAS_68615 | FMRFamide | NSC_68615)
Show SMILES CSCCC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)
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2.20n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM86147
PNG
(CAS_68615 | FMRFamide | NSC_68615)
Show SMILES CSCCC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)
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13n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50033658
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Sarcosine-Leu-Met(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=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/c1-37(2)34-46(58(90)74-42(53(69)85)28-33-98(4,96)97)78-54(86)38(3)73-57(89)47(35-39-16-7-5-8-17-39)80-59(91)48(36-40-18-9-6-10-19-40)79-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-60(92)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-61(93)49-22-14-31-81(49)62(94)41(66)20-13-30-72-64(70)71/h5-10,16-19,37-38,41-50H,11-15,20-36,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,85)(H,73,89)(H,74,90)(H,75,87)(H,76,92)(H,77,93)(H,78,86)(H,79,88)(H,80,91)(H4,70,71,72)/t38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity against NK1 receptor


J Med Chem 36: 3197-201 (1993)


Article DOI: 10.1021/jm00073a022
BindingDB Entry DOI: 10.7270/Q29887NM
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM82453
PNG
(PACAP(11-38))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C153H265N51O35S/c1-81(2)73-110(128(218)178-79-119(212)182-97(34-16-23-62-155)130(220)187-105(42-31-70-176-152(170)171)138(228)198-112(75-89-44-50-92(206)51-45-89)143(233)189-99(36-18-25-64-157)132(222)191-107(56-58-116(162)209)139(229)188-106(43-32-71-177-153(172)173)141(231)204-122(85(9)10)148(238)195-102(39-21-28-67-160)136(226)200-115(78-118(164)211)146(236)183-96(123(165)213)33-15-22-61-154)201-149(239)121(84(7)8)203-125(215)87(12)179-124(214)86(11)181-142(232)111(74-82(3)4)196-145(235)114(77-91-48-54-94(208)55-49-91)199-135(225)100(37-19-26-65-158)186-133(223)101(38-20-27-66-159)194-147(237)120(83(5)6)202-126(216)88(13)180-129(219)109(60-72-240-14)193-140(230)108(57-59-117(163)210)192-131(221)98(35-17-24-63-156)185-134(224)104(41-30-69-175-151(168)169)190-144(234)113(76-90-46-52-93(207)53-47-90)197-137(227)103(40-29-68-174-150(166)167)184-127(217)95(161)80-205/h44-55,81-88,95-115,120-122,205-208H,15-43,56-80,154-161H2,1-14H3,(H2,162,209)(H2,163,210)(H2,164,211)(H2,165,213)(H,178,218)(H,179,214)(H,180,219)(H,181,232)(H,182,212)(H,183,236)(H,184,217)(H,185,224)(H,186,223)(H,187,220)(H,188,229)(H,189,233)(H,190,234)(H,191,222)(H,192,221)(H,193,230)(H,194,237)(H,195,238)(H,196,235)(H,197,227)(H,198,228)(H,199,225)(H,200,226)(H,201,239)(H,202,216)(H,203,215)(H,204,231)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)(H4,172,173,177)/t86-,87-,88-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,120-,121-,122-/m0/s1
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100n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Neuropharmacology 33: 1189-95 (1994)


Article DOI: 10.1002/cbic.201402512
BindingDB Entry DOI: 10.7270/Q2251GP3
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50016446
PNG
(2-Amino-pentanedioic acid 5-amide 1-[(3-carbamoyl-...)
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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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM82445
PNG
(PACAP(9-27))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C104H172N30O25S/c1-54(2)47-75(84(110)141)127-102(159)83(57(7)8)134-86(143)59(10)117-85(142)58(9)119-96(153)76(48-55(3)4)129-98(155)79(51-63-30-36-66(139)37-31-63)131-93(150)69(22-14-17-42-106)121-91(148)70(23-15-18-43-107)126-101(158)82(56(5)6)133-87(144)60(11)118-89(146)74(40-46-160-12)125-95(152)73(38-39-81(109)140)124-90(147)68(21-13-16-41-105)120-92(149)71(24-19-44-115-103(111)112)122-97(154)78(50-62-28-34-65(138)35-29-62)130-94(151)72(25-20-45-116-104(113)114)123-100(157)80(53-136)132-99(156)77(128-88(145)67(108)52-135)49-61-26-32-64(137)33-27-61/h26-37,54-60,67-80,82-83,135-139H,13-25,38-53,105-108H2,1-12H3,(H2,109,140)(H2,110,141)(H,117,142)(H,118,146)(H,119,153)(H,120,149)(H,121,148)(H,122,154)(H,123,157)(H,124,147)(H,125,152)(H,126,158)(H,127,159)(H,128,145)(H,129,155)(H,130,151)(H,131,150)(H,132,156)(H,133,144)(H,134,143)(H4,111,112,115)(H4,113,114,116)/t58-,59-,60-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,82-,83-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Neuropharmacology 33: 1189-95 (1994)


Article DOI: 10.1002/cbic.201402512
BindingDB Entry DOI: 10.7270/Q2251GP3
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM82449
PNG
(PACAP(11-27))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C92H158N28O21S/c1-48(2)43-67(74(98)125)115-90(141)73(51(7)8)120-76(127)53(10)105-75(126)52(9)107-86(137)68(44-49(3)4)116-88(139)70(46-56-28-32-58(123)33-29-56)118-83(134)61(22-14-17-38-94)110-81(132)62(23-15-18-39-95)114-89(140)72(50(5)6)119-77(128)54(11)106-79(130)66(36-42-142-12)113-85(136)65(34-35-71(97)124)112-80(131)60(21-13-16-37-93)109-82(133)64(25-20-41-104-92(101)102)111-87(138)69(45-55-26-30-57(122)31-27-55)117-84(135)63(24-19-40-103-91(99)100)108-78(129)59(96)47-121/h26-33,48-54,59-70,72-73,121-123H,13-25,34-47,93-96H2,1-12H3,(H2,97,124)(H2,98,125)(H,105,126)(H,106,130)(H,107,137)(H,108,129)(H,109,133)(H,110,132)(H,111,138)(H,112,131)(H,113,136)(H,114,140)(H,115,141)(H,116,139)(H,117,135)(H,118,134)(H,119,128)(H,120,127)(H4,99,100,103)(H4,101,102,104)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,72-,73-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Neuropharmacology 33: 1189-95 (1994)


Article DOI: 10.1002/cbic.201402512
BindingDB Entry DOI: 10.7270/Q2251GP3
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030150
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[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)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C72H106N18O13S/c1-43(2)41-52(64(96)81-48(61(77)93)34-40-104-3)86-68(100)56-29-18-39-90(56)71(103)60(59(45-21-9-5-10-22-45)46-23-11-6-12-24-46)87-65(97)53(42-44-19-7-4-8-20-44)85-63(95)49(30-32-57(75)91)82-62(94)50(31-33-58(76)92)83-66(98)55-28-17-38-89(55)70(102)51(26-13-14-35-73)84-67(99)54-27-16-37-88(54)69(101)47(74)25-15-36-80-72(78)79/h4-12,19-24,43,47-56,59-60H,13-18,25-42,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/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 3 receptor


(Rattus norvegicus)
BDBM50030161
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=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(N)=O
Show InChI InChI=1S/C66H102N18O13S/c1-39(2)36-47(58(90)75-43(55(71)87)29-35-98-3)80-62(94)52-24-15-34-84(52)65(97)49(38-41-18-8-5-9-19-41)81-59(91)48(37-40-16-6-4-7-17-40)79-57(89)44(25-27-53(69)85)76-56(88)45(26-28-54(70)86)77-60(92)51-23-14-33-83(51)64(96)46(21-10-11-30-67)78-61(93)50-22-13-32-82(50)63(95)42(68)20-12-31-74-66(72)73/h4-9,16-19,39,42-52H,10-15,20-38,67-68H2,1-3H3,(H2,69,85)(H2,70,86)(H2,71,87)(H,75,90)(H,76,88)(H,77,92)(H,78,93)(H,79,89)(H,80,94)(H,81,91)(H4,72,73,74)/t42-,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-/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))
BDBM50030161
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=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(N)=O
Show InChI InChI=1S/C66H102N18O13S/c1-39(2)36-47(58(90)75-43(55(71)87)29-35-98-3)80-62(94)52-24-15-34-84(52)65(97)49(38-41-18-8-5-9-19-41)81-59(91)48(37-40-16-6-4-7-17-40)79-57(89)44(25-27-53(69)85)76-56(88)45(26-28-54(70)86)77-60(92)51-23-14-33-83(51)64(96)46(21-10-11-30-67)78-61(93)50-22-13-32-82(50)63(95)42(68)20-12-31-74-66(72)73/h4-9,16-19,39,42-52H,10-15,20-38,67-68H2,1-3H3,(H2,69,85)(H2,70,86)(H2,71,87)(H,75,90)(H,76,88)(H,77,92)(H,78,93)(H,79,89)(H,80,94)(H,81,91)(H4,72,73,74)/t42-,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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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)
BDBM50030146
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tle-Gly-Leu-Met | CHEM...)
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(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(C)(C)C)C(N)=O
Show InChI InChI=1S/C60H100N18O13S/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-6)70-47(81)33-69-56(89)48(60(3,4)5)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
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n/an/a 9n/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
TACR2


(mouse)
BDBM50030161
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=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(N)=O
Show InChI InChI=1S/C66H102N18O13S/c1-39(2)36-47(58(90)75-43(55(71)87)29-35-98-3)80-62(94)52-24-15-34-84(52)65(97)49(38-41-18-8-5-9-19-41)81-59(91)48(37-40-16-6-4-7-17-40)79-57(89)44(25-27-53(69)85)76-56(88)45(26-28-54(70)86)77-60(92)51-23-14-33-83(51)64(96)46(21-10-11-30-67)78-61(93)50-22-13-32-82(50)63(95)42(68)20-12-31-74-66(72)73/h4-9,16-19,39,42-52H,10-15,20-38,67-68H2,1-3H3,(H2,69,85)(H2,70,86)(H2,71,87)(H,75,90)(H,76,88)(H,77,92)(H,78,93)(H,79,89)(H,80,94)(H,81,91)(H4,72,73,74)/t42-,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-/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]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
TACR2


(mouse)
BDBM50030150
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[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)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C72H106N18O13S/c1-43(2)41-52(64(96)81-48(61(77)93)34-40-104-3)86-68(100)56-29-18-39-90(56)71(103)60(59(45-21-9-5-10-22-45)46-23-11-6-12-24-46)87-65(97)53(42-44-19-7-4-8-20-44)85-63(95)49(30-32-57(75)91)82-62(94)50(31-33-58(76)92)83-66(98)55-28-17-38-89(55)70(102)51(26-13-14-35-73)84-67(99)54-27-16-37-88(54)69(101)47(74)25-15-36-80-72(78)79/h4-12,19-24,43,47-56,59-60H,13-18,25-42,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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n/an/a 6.00E+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
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030146
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tle-Gly-Leu-Met | CHEM...)
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(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(C)(C)C)C(N)=O
Show InChI InChI=1S/C60H100N18O13S/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-6)70-47(81)33-69-56(89)48(60(3,4)5)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
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n/an/a 65n/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))
BDBM50030150
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[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)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C72H106N18O13S/c1-43(2)41-52(64(96)81-48(61(77)93)34-40-104-3)86-68(100)56-29-18-39-90(56)71(103)60(59(45-21-9-5-10-22-45)46-23-11-6-12-24-46)87-65(97)53(42-44-19-7-4-8-20-44)85-63(95)49(30-32-57(75)91)82-62(94)50(31-33-58(76)92)83-66(98)55-28-17-38-89(55)70(102)51(26-13-14-35-73)84-67(99)54-27-16-37-88(54)69(101)47(74)25-15-36-80-72(78)79/h4-12,19-24,43,47-56,59-60H,13-18,25-42,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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n/an/a 2.50E+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 1 receptor


(Rattus norvegicus (rat))
BDBM50030146
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tle-Gly-Leu-Met | CHEM...)
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(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(C)(C)C)C(N)=O
Show InChI InChI=1S/C60H100N18O13S/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-6)70-47(81)33-69-56(89)48(60(3,4)5)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
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n/an/a 2.60n/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))
BDBM50009228
PNG
(CHEMBL413846 | SP (substance P) | Spantide)
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)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C60H92N16O13S/c1-36(2)31-43(53(82)72-42(59(88)89)25-30-90-3)70-50(79)34-67-51(80)44(32-37-15-6-4-7-16-37)73-54(83)45(33-38-17-8-5-9-18-38)74-52(81)40(23-24-48(63)77)69-49(78)35-68-55(84)46-21-13-29-76(46)58(87)41(20-12-27-66-60(64)65)71-56(85)47-22-14-28-75(47)57(86)39(62)19-10-11-26-61/h4-9,15-18,36,39-47H,10-14,19-35,61-62H2,1-3H3,(H2,63,77)(H,67,80)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,82)(H,73,83)(H,74,81)(H,88,89)(H4,64,65,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007830
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007823
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29+,30+,31+,32+/m1/s1
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n/an/an/an/a 188n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007823
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29+,30+,31+,32+/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50283254
PNG
((S)-2-[(5-Oxo-pyrrolidine-2-carbonyl)-amino]-penta...)
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]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C41H57N9O9S/c1-24(2)20-30(40(58)47-27(36(43)54)18-19-60-3)46-35(53)23-44-37(55)31(21-25-10-6-4-7-11-25)49-41(59)32(22-26-12-8-5-9-13-26)50-39(57)29(14-16-33(42)51)48-38(56)28-15-17-34(52)45-28/h4-13,24,27-32H,14-23H2,1-3H3,(H2,42,51)(H2,43,54)(H,44,55)(H,45,52)(H,46,53)(H,47,58)(H,48,56)(H,49,59)(H,50,57)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 25n/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
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007962
PNG
(CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2)
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]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50007962
PNG
(CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2)
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]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007830
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair