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131 similar compounds to monomer 50008373

Compile data set for download or QSAR
Wt: 1188.3
BDBM50449783
Wt: 3336.8
BDBM82395
Wt: 3102.5
BDBM82400
Wt: 3189.6
BDBM82402
Wt: 3776.4
BDBM81762
Wt: 1334.5
BDBM81943
Wt: 947.1
BDBM50001592
Wt: 921.1
BDBM50001593
Wt: 895.0
BDBM50001594
Wt: 963.1
BDBM50001596
Wt: 995.1
BDBM50001600
Wt: 3300.8
BDBM50004964
Wt: 3002.4
BDBM50004965
Wt: 3357.8
BDBM50004966
Purchase
Wt: 3228.7
BDBM50004967
Displayed 1 to 15 (of 131 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50449783,82395,82400,82402,81762,81943,50001592,50001593,50001594,50001596,50001600,50004964,50004965,50004966,50004967   
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
BHE


(MOUSE)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
KEGG

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0.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
BHE


(RAT)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
KEGG

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1.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
BHE


(GUINEA PIG)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
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2.60n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
BHE


(RAT)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
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4.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
Substance K


(RAT)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
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6n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
Substance K


(MOUSE)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
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7n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
Substance P


(GUINEA PIG)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
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9n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
Substance K


(RAT)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
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9n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(GUINEA PIG)
BDBM81943
PNG
(CAS_45749 | NSC_45749 | kassinin)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
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11n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 819-31 (1986)


BindingDB Entry DOI: 10.7270/Q2D50KFX
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81762
PNG
(PACAP(8-38))
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](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)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/C169H284N54O42S/c1-88(2)77-119(141(241)194-85-131(233)198-106(34-16-23-66-171)143(243)202-113(41-30-73-191-167(184)185)150(250)213-121(79-96-44-52-100(226)53-45-96)156(256)204-108(36-18-25-68-173)145(245)207-116(60-62-128(178)230)152(252)203-115(43-32-75-193-169(188)189)154(254)223-135(92(9)10)164(264)211-111(39-21-28-71-176)149(249)217-125(84-130(180)232)160(260)199-105(136(181)236)33-15-22-65-170)218-165(265)134(91(7)8)222-138(238)94(12)195-137(237)93(11)197-155(255)120(78-89(3)4)212-158(258)123(81-98-48-56-102(228)57-49-98)215-148(248)109(37-19-26-69-174)201-146(246)110(38-20-27-70-175)210-163(263)133(90(5)6)221-139(239)95(13)196-142(242)118(64-76-266-14)209-153(253)117(61-63-129(179)231)208-144(244)107(35-17-24-67-172)200-147(247)112(40-29-72-190-166(182)183)205-157(257)122(80-97-46-54-101(227)55-47-97)214-151(251)114(42-31-74-192-168(186)187)206-161(261)127(87-225)220-159(259)124(82-99-50-58-103(229)59-51-99)216-162(262)126(86-224)219-140(240)104(177)83-132(234)235/h44-59,88-95,104-127,133-135,224-229H,15-43,60-87,170-177H2,1-14H3,(H2,178,230)(H2,179,231)(H2,180,232)(H2,181,236)(H,194,241)(H,195,237)(H,196,242)(H,197,255)(H,198,233)(H,199,260)(H,200,247)(H,201,246)(H,202,243)(H,203,252)(H,204,256)(H,205,257)(H,206,261)(H,207,245)(H,208,244)(H,209,253)(H,210,263)(H,211,264)(H,212,258)(H,213,250)(H,214,251)(H,215,248)(H,216,262)(H,217,249)(H,218,265)(H,219,240)(H,220,259)(H,221,239)(H,222,238)(H,223,254)(H,234,235)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t93-,94-,95-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-,134-,135-/m0/s1
Reactome pathway
KEGG

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Article
PubMed
30n/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
VIP


(RAT)
BDBM82395
PNG
([Phe1]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1ccccc1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C150H239N41O43S/c1-18-78(12)118(145(230)181-99(61-75(6)7)134(219)184-107(148(233)234)68-113(158)201)189-142(227)109(72-193)186-137(222)104(67-112(157)200)178-133(218)98(60-74(4)5)175-135(220)100(64-85-42-46-87(196)47-43-85)176-128(213)91(38-26-29-54-152)168-126(211)92(39-27-30-55-153)172-143(228)116(76(8)9)187-121(206)79(13)165-124(209)96(52-58-235-17)171-130(215)95(50-51-110(155)198)170-125(210)90(37-25-28-53-151)167-127(212)93(40-31-56-163-149(159)160)169-132(217)97(59-73(2)3)174-129(214)94(41-32-57-164-150(161)162)173-146(231)119(81(15)194)190-139(224)101(65-86-44-48-88(197)49-45-86)177-136(221)103(66-111(156)199)179-138(223)106(70-115(204)205)183-147(232)120(82(16)195)191-140(225)102(63-84-35-23-20-24-36-84)182-144(229)117(77(10)11)188-122(207)80(14)166-131(216)105(69-114(202)203)180-141(226)108(71-192)185-123(208)89(154)62-83-33-21-19-22-34-83/h19-24,33-36,42-49,73-82,89-109,116-120,192-197H,18,25-32,37-41,50-72,151-154H2,1-17H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,201)(H,165,209)(H,166,216)(H,167,212)(H,168,211)(H,169,217)(H,170,210)(H,171,215)(H,172,228)(H,173,231)(H,174,214)(H,175,220)(H,176,213)(H,177,221)(H,178,218)(H,179,223)(H,180,226)(H,181,230)(H,182,229)(H,183,232)(H,184,219)(H,185,208)(H,186,222)(H,187,206)(H,188,207)(H,189,227)(H,190,224)(H,191,225)(H,202,203)(H,204,205)(H,233,234)(H4,159,160,163)(H4,161,162,164)
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30n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Regul Pept 54: 397-407 (1994)


BindingDB Entry DOI: 10.7270/Q20C4T9W
More data for this
Ligand-Target Pair
PACAP


(Homo sapiens (Human))
BDBM81762
PNG
(PACAP(8-38))
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](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)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/C169H284N54O42S/c1-88(2)77-119(141(241)194-85-131(233)198-106(34-16-23-66-171)143(243)202-113(41-30-73-191-167(184)185)150(250)213-121(79-96-44-52-100(226)53-45-96)156(256)204-108(36-18-25-68-173)145(245)207-116(60-62-128(178)230)152(252)203-115(43-32-75-193-169(188)189)154(254)223-135(92(9)10)164(264)211-111(39-21-28-71-176)149(249)217-125(84-130(180)232)160(260)199-105(136(181)236)33-15-22-65-170)218-165(265)134(91(7)8)222-138(238)94(12)195-137(237)93(11)197-155(255)120(78-89(3)4)212-158(258)123(81-98-48-56-102(228)57-49-98)215-148(248)109(37-19-26-69-174)201-146(246)110(38-20-27-70-175)210-163(263)133(90(5)6)221-139(239)95(13)196-142(242)118(64-76-266-14)209-153(253)117(61-63-129(179)231)208-144(244)107(35-17-24-67-172)200-147(247)112(40-29-72-190-166(182)183)205-157(257)122(80-97-46-54-101(227)55-47-97)214-151(251)114(42-31-74-192-168(186)187)206-161(261)127(87-225)220-159(259)124(82-99-50-58-103(229)59-51-99)216-162(262)126(86-224)219-140(240)104(177)83-132(234)235/h44-59,88-95,104-127,133-135,224-229H,15-43,60-87,170-177H2,1-14H3,(H2,178,230)(H2,179,231)(H2,180,232)(H2,181,236)(H,194,241)(H,195,237)(H,196,242)(H,197,255)(H,198,233)(H,199,260)(H,200,247)(H,201,246)(H,202,243)(H,203,252)(H,204,256)(H,205,257)(H,206,261)(H,207,245)(H,208,244)(H,209,253)(H,210,263)(H,211,264)(H,212,258)(H,213,250)(H,214,251)(H,215,248)(H,216,262)(H,217,249)(H,218,265)(H,219,240)(H,220,259)(H,221,239)(H,222,238)(H,223,254)(H,234,235)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t93-,94-,95-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-,134-,135-/m0/s1
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30n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Eur J Biochem 208: 815-9 (1992)


Article DOI: 10.1111/j.1432-1033.1992.tb17252.x
BindingDB Entry DOI: 10.7270/Q2J67FD2
More data for this
Ligand-Target Pair
VIP


(RAT)
BDBM82402
PNG
(VIP(2-28))
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(N)CO)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C141H230N40O42S/c1-18-72(12)110(136(219)172-92(56-69(6)7)126(209)175-100(139(222)223)62-105(149)191)179-133(216)101(66-183)176-129(212)97(61-104(148)190)170-125(208)91(55-68(4)5)167-127(210)93(58-78-37-41-80(186)42-38-78)168-120(203)84(33-23-26-49-143)159-118(201)85(34-24-27-50-144)163-134(217)108(70(8)9)177-113(196)73(13)156-116(199)89(47-53-224-17)162-122(205)88(45-46-102(146)188)161-117(200)83(32-22-25-48-142)158-119(202)86(35-28-51-154-140(150)151)160-124(207)90(54-67(2)3)166-121(204)87(36-29-52-155-141(152)153)164-137(220)111(75(15)184)180-131(214)94(59-79-39-43-81(187)44-40-79)169-128(211)96(60-103(147)189)171-130(213)99(64-107(194)195)174-138(221)112(76(16)185)181-132(215)95(57-77-30-20-19-21-31-77)173-135(218)109(71(10)11)178-114(197)74(14)157-123(206)98(63-106(192)193)165-115(198)82(145)65-182/h19-21,30-31,37-44,67-76,82-101,108-112,182-187H,18,22-29,32-36,45-66,142-145H2,1-17H3,(H2,146,188)(H2,147,189)(H2,148,190)(H2,149,191)(H,156,199)(H,157,206)(H,158,202)(H,159,201)(H,160,207)(H,161,200)(H,162,205)(H,163,217)(H,164,220)(H,165,198)(H,166,204)(H,167,210)(H,168,203)(H,169,211)(H,170,208)(H,171,213)(H,172,219)(H,173,218)(H,174,221)(H,175,209)(H,176,212)(H,177,196)(H,178,197)(H,179,216)(H,180,214)(H,181,215)(H,192,193)(H,194,195)(H,222,223)(H4,150,151,154)(H4,152,153,155)
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200n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Regul Pept 54: 397-407 (1994)


BindingDB Entry DOI: 10.7270/Q20C4T9W
More data for this
Ligand-Target Pair
VIP


(RAT)
BDBM82400
PNG
(VIP(3-28))
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(N)CC(O)=O)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C138H225N39O40S/c1-18-71(12)108(133(213)168-91(56-68(6)7)123(203)171-98(136(216)217)63-103(146)186)175-130(210)99(65-178)172-126(206)96(62-102(145)185)166-122(202)90(55-67(4)5)163-124(204)92(58-77-37-41-79(181)42-38-77)164-118(198)83(33-23-26-49-140)156-116(196)84(34-24-27-50-141)160-131(211)106(69(8)9)173-112(192)73(14)154-114(194)88(47-53-218-17)159-120(200)87(45-46-100(143)183)158-115(195)82(32-22-25-48-139)155-117(197)85(35-28-51-151-137(147)148)157-121(201)89(54-66(2)3)162-119(199)86(36-29-52-152-138(149)150)161-134(214)109(74(15)179)176-128(208)93(59-78-39-43-80(182)44-40-78)165-125(205)95(61-101(144)184)167-127(207)97(64-105(189)190)170-135(215)110(75(16)180)177-129(209)94(57-76-30-20-19-21-31-76)169-132(212)107(70(10)11)174-111(191)72(13)153-113(193)81(142)60-104(187)188/h19-21,30-31,37-44,66-75,81-99,106-110,178-182H,18,22-29,32-36,45-65,139-142H2,1-17H3,(H2,143,183)(H2,144,184)(H2,145,185)(H2,146,186)(H,153,193)(H,154,194)(H,155,197)(H,156,196)(H,157,201)(H,158,195)(H,159,200)(H,160,211)(H,161,214)(H,162,199)(H,163,204)(H,164,198)(H,165,205)(H,166,202)(H,167,207)(H,168,213)(H,169,212)(H,170,215)(H,171,203)(H,172,206)(H,173,192)(H,174,191)(H,175,210)(H,176,208)(H,177,209)(H,187,188)(H,189,190)(H,216,217)(H4,147,148,151)(H4,149,150,152)
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3.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Regul Pept 54: 397-407 (1994)


BindingDB Entry DOI: 10.7270/Q20C4T9W
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001592
PNG
(CHEMBL131923 | N-{1-[1-(1-{5-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C44H70N10O11S/c1-24(2)19-33(42(63)48-29(37(47)58)15-18-66-5)54-22-27-14-17-53(36(27)44(54)65)43(64)35(25(3)4)52-40(61)30(20-26-11-7-6-8-12-26)50-41(62)32(23-55)51-39(60)31(21-34(56)57)49-38(59)28(46)13-9-10-16-45/h6-8,11-12,24-25,27-33,35-36,55H,9-10,13-23,45-46H2,1-5H3,(H2,47,58)(H,48,63)(H,49,59)(H,50,62)(H,51,60)(H,52,61)(H,56,57)/t27?,28-,29-,30-,31-,32-,33-,35-,36?/m0/s1
MMDB

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n/an/an/an/a 2.72E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001600
PNG
(CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C48H70N10O11S/c1-28(2)22-38(46(67)52-33(41(51)62)18-21-70-3)58-26-31-17-20-57(40(31)48(58)69)47(68)36(24-30-14-8-5-9-15-30)55-43(64)34(23-29-12-6-4-7-13-29)54-45(66)37(27-59)56-44(65)35(25-39(60)61)53-42(63)32(50)16-10-11-19-49/h4-9,12-15,28,31-38,40,59H,10-11,16-27,49-50H2,1-3H3,(H2,51,62)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)(H,60,61)/t31?,32-,33-,34-,35-,36-,37-,38-,40?/m0/s1
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n/an/an/an/a 45n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001593
PNG
(CHEMBL131872 | N-{1-[1-(1-{1-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28?,29-,30-,31-,32-,34-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001596
PNG
(3-(2-Acetylamino-6-amino-hexanoylamino)-N-{1-[1-(1...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C44H70N10O12S/c1-24(2)20-34(42(64)48-28(37(46)59)16-19-67-6)54-18-15-30(44(54)66)49-43(65)36(25(3)4)53-40(62)31(21-27-12-8-7-9-13-27)50-41(63)33(23-55)52-39(61)32(22-35(57)58)51-38(60)29(47-26(5)56)14-10-11-17-45/h7-9,12-13,24-25,28-34,36,55H,10-11,14-23,45H2,1-6H3,(H2,46,59)(H,47,56)(H,48,64)(H,49,65)(H,50,63)(H,51,60)(H,52,61)(H,53,62)(H,57,58)/t28-,29-,30?,31-,32-,33-,34-,36-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
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n/an/an/an/a 870n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001593
PNG
(CHEMBL131872 | N-{1-[1-(1-{1-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28?,29-,30-,31-,32-,34-/m0/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001592
PNG
(CHEMBL131923 | N-{1-[1-(1-{5-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C44H70N10O11S/c1-24(2)19-33(42(63)48-29(37(47)58)15-18-66-5)54-22-27-14-17-53(36(27)44(54)65)43(64)35(25(3)4)52-40(61)30(20-26-11-7-6-8-12-26)50-41(62)32(23-55)51-39(60)31(21-34(56)57)49-38(59)28(46)13-9-10-16-45/h6-8,11-12,24-25,27-33,35-36,55H,9-10,13-23,45-46H2,1-5H3,(H2,47,58)(H,48,63)(H,49,59)(H,50,62)(H,51,60)(H,52,61)(H,56,57)/t27?,28-,29-,30-,31-,32-,33-,35-,36?/m0/s1
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n/an/an/an/a 59n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001592
PNG
(CHEMBL131923 | N-{1-[1-(1-{5-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C44H70N10O11S/c1-24(2)19-33(42(63)48-29(37(47)58)15-18-66-5)54-22-27-14-17-53(36(27)44(54)65)43(64)35(25(3)4)52-40(61)30(20-26-11-7-6-8-12-26)50-41(62)32(23-55)51-39(60)31(21-34(56)57)49-38(59)28(46)13-9-10-16-45/h6-8,11-12,24-25,27-33,35-36,55H,9-10,13-23,45-46H2,1-5H3,(H2,47,58)(H,48,63)(H,49,59)(H,50,62)(H,51,60)(H,52,61)(H,56,57)/t27?,28-,29-,30-,31-,32-,33-,35-,36?/m0/s1
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n/an/an/an/a 1.13E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001596
PNG
(3-(2-Acetylamino-6-amino-hexanoylamino)-N-{1-[1-(1...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C44H70N10O12S/c1-24(2)20-34(42(64)48-28(37(46)59)16-19-67-6)54-18-15-30(44(54)66)49-43(65)36(25(3)4)53-40(62)31(21-27-12-8-7-9-13-27)50-41(63)33(23-55)52-39(61)32(22-35(57)58)51-38(60)29(47-26(5)56)14-10-11-17-45/h7-9,12-13,24-25,28-34,36,55H,10-11,14-23,45H2,1-6H3,(H2,46,59)(H,47,56)(H,48,64)(H,49,65)(H,50,63)(H,51,60)(H,52,61)(H,53,62)(H,57,58)/t28-,29-,30?,31-,32-,33-,34-,36-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001600
PNG
(CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C48H70N10O11S/c1-28(2)22-38(46(67)52-33(41(51)62)18-21-70-3)58-26-31-17-20-57(40(31)48(58)69)47(68)36(24-30-14-8-5-9-15-30)55-43(64)34(23-29-12-6-4-7-13-29)54-45(66)37(27-59)56-44(65)35(25-39(60)61)53-42(63)32(50)16-10-11-19-49/h4-9,12-15,28,31-38,40,59H,10-11,16-27,49-50H2,1-3H3,(H2,51,62)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)(H,60,61)/t31?,32-,33-,34-,35-,36-,37-,38-,40?/m0/s1
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n/an/an/an/a 1.03E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
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n/an/an/an/a 61n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001593
PNG
(CHEMBL131872 | N-{1-[1-(1-{1-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28?,29-,30-,31-,32-,34-/m0/s1
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n/an/an/an/a 4.24E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004967
PNG
(CHEMBL437818 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)CCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C145H239N41O40S/c1-16-77(9)115(184-121(205)81(13)163-129(213)103(69-113(198)199)173-120(204)79(11)162-122(206)88(148)65-84-43-47-86(191)48-44-84)141(225)179-101(66-83-34-23-22-24-35-83)135(219)186-117(82(14)190)142(226)180-102(68-111(151)196)134(218)183-107(73-189)139(223)177-100(67-85-45-49-87(192)50-46-85)133(217)170-93(40-33-60-161-145(157)158)123(207)166-89(36-27-29-56-146)108(193)41-25-20-18-19-21-26-42-112(197)165-94(51-53-109(149)194)126(210)175-99(64-76(7)8)132(216)182-105(71-187)137(221)164-80(12)119(203)168-92(39-32-59-160-144(155)156)124(208)169-91(37-28-30-57-147)125(209)174-98(63-75(5)6)131(215)176-97(62-74(3)4)130(214)171-95(52-54-110(150)195)127(211)178-104(70-114(200)201)136(220)185-116(78(10)17-2)140(224)172-96(55-61-227-15)128(212)181-106(72-188)138(222)167-90(118(152)202)38-31-58-159-143(153)154/h22-24,34-35,43-50,74-82,88-107,115-117,187-192H,16-21,25-33,36-42,51-73,146-148H2,1-15H3,(H2,149,194)(H2,150,195)(H2,151,196)(H2,152,202)(H,162,206)(H,163,213)(H,164,221)(H,165,197)(H,166,207)(H,167,222)(H,168,203)(H,169,208)(H,170,217)(H,171,214)(H,172,224)(H,173,204)(H,174,209)(H,175,210)(H,176,215)(H,177,223)(H,178,211)(H,179,225)(H,180,226)(H,181,212)(H,182,216)(H,183,218)(H,184,205)(H,185,220)(H,186,219)(H,198,199)(H,200,201)(H4,153,154,159)(H4,155,156,160)(H4,157,158,161)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,115-,116-,117-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


Article DOI: 10.1021/jm00088a023
BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004966
PNG
(CHEMBL428135 | Tyr-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C149H246N44O42S/c1-20-77(13)116(191-122(211)81(17)168-132(221)104(66-113(204)205)178-121(210)79(15)167-123(212)88(152)62-84-39-43-86(198)44-40-84)145(234)185-102(63-83-32-23-22-24-33-83)138(227)193-118(82(18)197)146(235)186-103(65-111(155)202)137(226)189-108(71-196)142(231)182-101(64-85-41-45-87(199)46-42-85)136(225)175-93(38-31-56-165-149(161)162)126(215)174-91(35-26-28-53-151)131(220)190-115(76(11)12)143(232)184-97(58-72(3)4)124(213)166-68-112(203)170-94(47-49-109(153)200)128(217)180-100(61-75(9)10)135(224)188-106(69-194)140(229)169-80(16)120(209)172-92(37-30-55-164-148(159)160)125(214)173-90(34-25-27-52-150)127(216)179-99(60-74(7)8)134(223)181-98(59-73(5)6)133(222)176-95(48-50-110(154)201)129(218)183-105(67-114(206)207)139(228)192-117(78(14)21-2)144(233)177-96(51-57-236-19)130(219)187-107(70-195)141(230)171-89(119(156)208)36-29-54-163-147(157)158/h22-24,32-33,39-46,72-82,88-108,115-118,194-199H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,166,213)(H,167,212)(H,168,221)(H,169,229)(H,170,203)(H,171,230)(H,172,209)(H,173,214)(H,174,215)(H,175,225)(H,176,222)(H,177,233)(H,178,210)(H,179,216)(H,180,217)(H,181,223)(H,182,231)(H,183,218)(H,184,232)(H,185,234)(H,186,235)(H,187,219)(H,188,224)(H,189,226)(H,190,220)(H,191,211)(H,192,228)(H,193,227)(H,204,205)(H,206,207)(H4,157,158,163)(H4,159,160,164)(H4,161,162,165)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


Article DOI: 10.1021/jm00088a023
BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001600
PNG
(CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C48H70N10O11S/c1-28(2)22-38(46(67)52-33(41(51)62)18-21-70-3)58-26-31-17-20-57(40(31)48(58)69)47(68)36(24-30-14-8-5-9-15-30)55-43(64)34(23-29-12-6-4-7-13-29)54-45(66)37(27-59)56-44(65)35(25-39(60)61)53-42(63)32(50)16-10-11-19-49/h4-9,12-15,28,31-38,40,59H,10-11,16-27,49-50H2,1-3H3,(H2,51,62)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)(H,60,61)/t31?,32-,33-,34-,35-,36-,37-,38-,40?/m0/s1
MMDB

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n/an/an/an/a 2.63E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004964
PNG
(CHEMBL412221 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C147H243N43O41S/c1-20-76(13)114(188-120(207)80(17)165-129(216)103(66-111(200)201)175-119(206)78(15)164-121(208)87(150)62-83-39-43-85(195)44-40-83)143(230)182-101(63-82-32-23-22-24-33-82)136(223)190-116(81(18)194)144(231)183-102(65-110(153)199)135(222)186-107(70-193)140(227)179-100(64-84-41-45-86(196)46-42-84)134(221)171-92(38-31-56-163-147(159)160)123(210)170-90(35-26-28-53-149)128(215)187-113(75(11)12)141(228)181-99(61-74(9)10)131(218)173-93(47-49-108(151)197)125(212)177-98(60-73(7)8)133(220)185-105(68-191)138(225)166-79(16)118(205)168-91(37-30-55-162-146(157)158)122(209)169-89(34-25-27-52-148)124(211)176-97(59-72(5)6)132(219)178-96(58-71(3)4)130(217)172-94(48-50-109(152)198)126(213)180-104(67-112(202)203)137(224)189-115(77(14)21-2)142(229)174-95(51-57-232-19)127(214)184-106(69-192)139(226)167-88(117(154)204)36-29-54-161-145(155)156/h22-24,32-33,39-46,71-81,87-107,113-116,191-196H,20-21,25-31,34-38,47-70,148-150H2,1-19H3,(H2,151,197)(H2,152,198)(H2,153,199)(H2,154,204)(H,164,208)(H,165,216)(H,166,225)(H,167,226)(H,168,205)(H,169,209)(H,170,210)(H,171,221)(H,172,217)(H,173,218)(H,174,229)(H,175,206)(H,176,211)(H,177,212)(H,178,219)(H,179,227)(H,180,213)(H,181,228)(H,182,230)(H,183,231)(H,184,214)(H,185,220)(H,186,222)(H,187,215)(H,188,207)(H,189,224)(H,190,223)(H,200,201)(H,202,203)(H4,155,156,161)(H4,157,158,162)(H4,159,160,163)/t76-,77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,113-,114-,115-,116-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


Article DOI: 10.1021/jm00088a023
BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50449783
PNG
(CHEMBL2370873)
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/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of tachykinin 1 (NK1) receptor in rat brain synaptosomal membranes using [125I]-BH-SP as radioligand


Bioorg Med Chem Lett 3: 447-450 (1993)


Article DOI: 10.1016/S0960-894X(01)80229-8
BindingDB Entry DOI: 10.7270/Q2R2119Z
More data for this
Ligand-Target Pair
Growth hormone-releasing hormone receptor


(Rattus norvegicus)
BDBM50004965
PNG
(CHEMBL269263 | GRF-analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C134H217N37O39S/c1-19-69(13)105(169-110(188)72(16)149-118(196)93(58-102(182)183)156-109(187)71(15)148-111(189)79(136)54-75-33-37-77(176)38-34-75)131(209)163-91(55-74-28-22-21-23-29-74)124(202)171-107(73(17)175)132(210)164-92(57-100(139)180)123(201)167-97(63-174)128(206)160-90(56-76-35-39-78(177)40-36-76)122(200)153-82(32-27-48-146-134(143)144)113(191)152-81(30-24-25-46-135)117(195)168-104(68(11)12)129(207)162-86(50-64(3)4)112(190)147-60-101(181)150-83(41-43-98(137)178)114(192)157-89(53-67(9)10)121(199)166-96(62-173)127(205)159-88(52-66(7)8)120(198)158-87(51-65(5)6)119(197)154-84(42-44-99(138)179)115(193)161-94(59-103(184)185)125(203)170-106(70(14)20-2)130(208)155-85(45-49-211-18)116(194)165-95(61-172)126(204)151-80(108(140)186)31-26-47-145-133(141)142/h21-23,28-29,33-40,64-73,79-97,104-107,172-177H,19-20,24-27,30-32,41-63,135-136H2,1-18H3,(H2,137,178)(H2,138,179)(H2,139,180)(H2,140,186)(H,147,190)(H,148,189)(H,149,196)(H,150,181)(H,151,204)(H,152,191)(H,153,200)(H,154,197)(H,155,208)(H,156,187)(H,157,192)(H,158,198)(H,159,205)(H,160,206)(H,161,193)(H,162,207)(H,163,209)(H,164,210)(H,165,194)(H,166,199)(H,167,201)(H,168,195)(H,169,188)(H,170,203)(H,171,202)(H,182,183)(H,184,185)(H4,141,142,145)(H4,143,144,146)/t69-,70-,71-,72-,73+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,104-,105-,106-,107-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Compound was tested to Inhibit [125I]-GRF in rat adenopituitary homogenates


J Med Chem 35: 1864-9 (1992)


Article DOI: 10.1021/jm00088a023
BindingDB Entry DOI: 10.7270/Q2Z0373P
More data for this
Ligand-Target Pair