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Compile Data Set for Download or QSAR

Found 1152 hits Enz. Inhib. hit(s) with Target = 'Bombesin'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GRPR


(HUMAN)
BDBM50158698
PNG
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)
Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158699
PNG
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1
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n/an/a 0.0800n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158697
PNG
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)
Show SMILES CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158698
PNG
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)
Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381917
PNG
(CHEMBL2023112)
Show SMILES CC(C)(C(N)=O)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C24H20F6N4O4S/c1-22(2,21(31)35)16-4-3-5-17-19(16)34(12-13-6-11-18(23(25,26)27)33-20(13)32-17)39(36,37)15-9-7-14(8-10-15)38-24(28,29)30/h3-11H,12H2,1-2H3,(H2,31,35)(H,32,33)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381918
PNG
(CHEMBL2023113)
Show SMILES NC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H20F6N4O4S/c26-24(27,28)19-10-5-14-13-35(40(37,38)16-8-6-15(7-9-16)39-25(29,30)31)20-17(23(22(32)36)11-2-12-23)3-1-4-18(20)33-21(14)34-19/h1,3-10H,2,11-13H2,(H2,32,36)(H,33,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50279041
PNG
((2S)-N1-((5S,8S,11S,17S,20S,23S,26S,29S,35S,38S)-1...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)C(CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O
Show InChI InChI=1S/C79H127N27O20S2/c1-40(2)27-52(103-71(119)49(17-14-25-89-79(85)86)101-72(120)50(19-21-58(81)107)96-61(110)18-10-9-13-24-88-70(118)57(38-127)99-63(112)35-91-62(111)32-80)69(117)92-36-64(113)98-56(31-60(83)109)77(125)102-51(20-22-59(82)108)73(121)105-54(29-44-33-90-47-16-12-11-15-46(44)47)74(122)95-43(7)68(116)106-66(42(5)6)78(126)93-37-65(114)97-55(30-45-34-87-39-94-45)76(124)104-53(28-41(3)4)75(123)100-48(67(84)115)23-26-128-8/h11-12,15-16,33-34,39-43,48-57,66,90,127H,9-10,13-14,17-32,35-38,80H2,1-8H3,(H2,81,107)(H2,82,108)(H2,83,109)(H2,84,115)(H,87,94)(H,88,118)(H,91,111)(H,92,117)(H,93,126)(H,95,122)(H,96,110)(H,97,114)(H,98,113)(H,99,112)(H,100,123)(H,101,120)(H,102,125)(H,103,119)(H,104,124)(H,105,121)(H,106,116)(H4,85,86,89)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57?,66-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



Institutes of Radioisotopes-Radiodiagnostic Products and Biology

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50066009
PNG
(CHEMBL3401466)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(CC1)NC(=O)Cn1cc(C[N+](C)(C)C[B-](F)(F)F)nn1)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C70H104BF3N20O13/c1-40(2)25-52(57(95)30-59(97)83-53(64(76)101)26-41(3)4)87-69(106)56(29-47-32-77-39-80-47)84-60(98)33-79-70(107)63(42(5)6)89-65(102)43(7)81-67(104)55(28-45-31-78-50-18-14-13-17-49(45)50)88-66(103)51(19-20-58(75)96)86-68(105)54(27-44-15-11-10-12-16-44)85-61(99)35-92-23-21-46(22-24-92)82-62(100)36-93-34-48(90-91-93)37-94(8,9)38-71(72,73)74/h10-18,31-32,34,39-43,46,51-57,63,78,95H,19-30,33,35-38H2,1-9H3,(H2,75,96)(H2,76,101)(H,77,80)(H,79,107)(H,81,104)(H,82,100)(H,83,97)(H,84,98)(H,85,99)(H,86,105)(H,87,106)(H,88,103)(H,89,102)/t43-,51-,52-,53-,54+,55-,56-,57-,63-/s2
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n/an/a 0.600n/an/an/an/an/an/a



BC Cancer Agency

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr4]bombesin from GRPR (unknown origin) expressed in human PC3 cells after 45 mins by gamma counting analysis


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381916
PNG
(CHEMBL2023111)
Show SMILES CC(C)(O)c1nc(no1)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F6N5O5S/c1-26(2,41)25-38-24(39-45-25)27(13-4-14-27)19-5-3-6-20-22(19)40(15-16-7-12-21(28(30,31)32)37-23(16)36-20)46(42,43)18-10-8-17(9-11-18)44-29(33,34)35/h3,5-12,41H,4,13-15H2,1-2H3,(H,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158700
PNG
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158699
PNG
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells


Citation and Details
More data for this
Ligand-Target Pair
NMBR


(HUMAN)
BDBM50071739
PNG
((S)-3-(1H-Indol-3-yl)-N-[1-(5-methoxy-pyridin-2-yl...)
Show SMILES COc1ccc(nc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1
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n/an/a 0.660n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Antagonistic activity against labelled Bombesin receptor bb1 binding sites in rat olfactory bulb by using [125I]- [Tyr] bombesin in presence of [D-Ph...


Bioorg Med Chem Lett 8: 2589-94 (1999)

More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394612
PNG
(CHEMBL2164581)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(CO)n3)c12)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O4S/c1-25(2,3)16-8-10-17(11-9-16)39(36,37)34-13-15-7-12-20(26(27,28)29)31-23(15)30-19-6-4-5-18(22(19)34)24-32-21(14-35)38-33-24/h4-12,35H,13-14H2,1-3H3,(H,30,31)
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400247
PNG
(CHEMBL2179918)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc3ncccc3c12)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O2S/c1-25(2,3)17-7-9-18(10-8-17)36(34,35)33-15-16-6-13-22(26(27,28)29)32-24(16)31-21-12-11-20-19(23(21)33)5-4-14-30-20/h4-14H,15H2,1-3H3,(H,31,32)
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158702
PNG
(CHEMBL413893 | Universal ligand)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394616
PNG
(CHEMBL2164577)
Show SMILES Cn1cc(cn1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O2S/c1-26(2,3)19-9-11-20(12-10-19)38(36,37)35-16-17-8-13-23(27(28,29)30)33-25(17)32-22-7-5-6-21(24(22)35)18-14-31-34(4)15-18/h5-15H,16H2,1-4H3,(H,32,33)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158701
PNG
(CHEMBL407101 | [Tyr4]Bombesin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C74H108N24O19S/c1-36(2)26-50(70(114)91-45(62(78)106)23-25-118-6)95-71(115)53(29-41-32-81-35-86-41)89-60(105)34-85-73(117)61(37(3)4)98-63(107)38(5)87-69(113)52(28-40-31-83-44-11-8-7-10-43(40)44)97-68(112)49(18-21-56(76)101)94-72(116)54(30-57(77)102)90-59(104)33-84-64(108)51(27-39-13-15-42(99)16-14-39)96-65(109)46(12-9-24-82-74(79)80)92-67(111)48(17-20-55(75)100)93-66(110)47-19-22-58(103)88-47/h7-8,10-11,13-16,31-32,35-38,45-54,61,83,99H,9,12,17-30,33-34H2,1-6H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,108)(H,85,117)(H,87,113)(H,88,103)(H,89,105)(H,90,104)(H,91,114)(H,92,111)(H,93,110)(H,94,116)(H,95,115)(H,96,109)(H,97,112)(H,98,107)(H4,79,80,82)/t38-,45-,46-,47?,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
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n/an/a 0.850n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
NMBR


(HUMAN)
BDBM50158699
PNG
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394609
PNG
(CHEMBL2164223)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O4S/c1-26(2,3)17-10-12-18(13-11-17)41(38,39)36-15-16-9-14-21(28(29,30)31)33-23(16)32-20-8-6-7-19(22(20)36)24-34-25(40-35-24)27(4,5)37/h6-14,37H,15H2,1-5H3,(H,32,33)
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400254
PNG
(CHEMBL2179911)
Show SMILES Cc1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-15-6-5-7-19-21(15)30(14-16-8-13-20(24(25,26)27)29-22(16)28-19)33(31,32)18-11-9-17(10-12-18)23(2,3)4/h5-13H,14H2,1-4H3,(H,28,29)
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
NMBR


(HUMAN)
BDBM50158702
PNG
(CHEMBL413893 | Universal ligand)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50158702
PNG
(CHEMBL413893 | Universal ligand)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of bombesin subtype 3 receptor expressed in human lung carcinoids


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394613
PNG
(CHEMBL2164580)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3ncon3)c12)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O3S/c1-24(2,3)16-8-10-17(11-9-16)37(34,35)33-13-15-7-12-20(25(26,27)28)31-22(15)30-19-6-4-5-18(21(19)33)23-29-14-36-32-23/h4-12,14H,13H2,1-3H3,(H,30,31)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394611
PNG
(CHEMBL2164582)
Show SMILES C[C@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400257
PNG
(CHEMBL2179908)
Show SMILES Cc1ccc2Nc3nc(Cl)ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H26ClN3O2S/c1-15-6-12-20-22(16(15)2)28(14-17-7-13-21(25)27-23(17)26-20)31(29,30)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,27)
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TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50279043
PNG
((S)-N1-((5S,8S,11S,17S,20S,23S,26S,29S,35S,38S)-11...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C69H106N24O19S/c1-32(2)23-45(64(108)86-40(57(73)101)20-22-113-7)90-65(109)47(25-37-28-76-31-81-37)84-53(99)29-79-67(111)55(33(3)4)92-58(102)34(5)82-63(107)46(24-36-27-78-39-12-9-8-11-38(36)39)91-61(105)44(15-18-50(71)96)89-66(110)48(26-51(72)97)85-54(100)30-80-68(112)56(35(6)94)93-62(106)41(13-10-21-77-69(74)75)87-60(104)43(14-17-49(70)95)88-59(103)42-16-19-52(98)83-42/h8-9,11-12,27-28,31-35,40-48,55-56,78,94H,10,13-26,29-30H2,1-7H3,(H2,70,95)(H2,71,96)(H2,72,97)(H2,73,101)(H,76,81)(H,79,111)(H,80,112)(H,82,107)(H,83,98)(H,84,99)(H,85,100)(H,86,108)(H,87,104)(H,88,103)(H,89,110)(H,90,109)(H,91,105)(H,92,102)(H,93,106)(H4,74,75,77)/t34-,35+,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-,56-/m0/s1
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n/an/a 1.24n/an/an/an/an/an/a



Institutes of Radioisotopes-Radiodiagnostic Products and Biology

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158700
PNG
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394615
PNG
(CHEMBL2164578)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(C3CCNCC3)c12)C(F)(F)F
Show InChI InChI=1S/C28H31F3N4O2S/c1-27(2,3)20-8-10-21(11-9-20)38(36,37)35-17-19-7-12-24(28(29,30)31)34-26(19)33-23-6-4-5-22(25(23)35)18-13-15-32-16-14-18/h4-12,18,32H,13-17H2,1-3H3,(H,33,34)
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381915
PNG
(CHEMBL2023110)
Show SMILES CC(C)(O)c1nc(no1)C(C)(C)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F6N5O5S/c1-25(2,23-37-24(44-38-23)26(3,4)40)18-6-5-7-19-21(18)39(14-15-8-13-20(27(29,30)31)36-22(15)35-19)45(41,42)17-11-9-16(10-12-17)43-28(32,33)34/h5-13,40H,14H2,1-4H3,(H,35,36)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394618
PNG
(CHEMBL2164575)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50279042
PNG
((2S)-N1-((5S,8S,11S,17S,20S,23S)-11-((1H-imidazol-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)C(CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O
Show InChI InChI=1S/C56H87N17O13S2/c1-30(2)20-39(54(84)70-37(49(59)79)17-19-88-6)71-55(85)41(22-34-25-60-29-65-34)68-47(78)27-64-56(86)48(31(3)4)73-50(80)32(5)66-53(83)40(21-33-24-62-36-13-10-9-12-35(33)36)72-52(82)38(15-16-43(58)74)67-44(75)14-8-7-11-18-61-51(81)42(28-87)69-46(77)26-63-45(76)23-57/h9-10,12-13,24-25,29-32,37-42,48,62,87H,7-8,11,14-23,26-28,57H2,1-6H3,(H2,58,74)(H2,59,79)(H,60,65)(H,61,81)(H,63,76)(H,64,86)(H,66,83)(H,67,75)(H,68,78)(H,69,77)(H,70,84)(H,71,85)(H,72,82)(H,73,80)/t32-,37-,38-,39-,40-,41-,42?,48-/m0/s1
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n/an/a 1.45n/an/an/an/an/an/a



Institutes of Radioisotopes-Radiodiagnostic Products and Biology

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400246
PNG
(CHEMBL2179473)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(C)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-14(2)17-6-9-19(10-7-17)33(31,32)30-13-18-8-12-21(24(25,26)27)29-23(18)28-20-11-5-15(3)16(4)22(20)30/h5-12,14H,13H2,1-4H3,(H,28,29)
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
NMBR


(HUMAN)
BDBM50158698
PNG
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)
Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394608
PNG
(CHEMBL2164224)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(2)16-8-11-18(12-9-16)40(37,38)35-14-17-10-13-21(27(28,29)30)32-23(17)31-20-7-5-6-19(22(20)35)24-33-25(39-34-24)26(3,4)36/h5-13,15,36H,14H2,1-4H3,(H,31,32)
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394617
PNG
(CHEMBL2164576)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3cccnc3)c12)C(F)(F)F
Show InChI InChI=1S/C28H25F3N4O2S/c1-27(2,3)20-10-12-21(13-11-20)38(36,37)35-17-19-9-14-24(28(29,30)31)34-26(19)33-23-8-4-7-22(25(23)35)18-6-5-15-32-16-18/h4-16H,17H2,1-3H3,(H,33,34)
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n/an/a 1.72n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394610
PNG
(CHEMBL2164222)
Show SMILES C[C@@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM50158697
PNG
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)
Show SMILES CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1
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n/an/a 1.94n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells


Citation and Details
More data for this
Ligand-Target Pair
NMBR


(HUMAN)
BDBM50158700
PNG
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells


Citation and Details
More data for this
Ligand-Target Pair
GRPR


(HUMAN)
BDBM85484
PNG
(Bombesin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr4-BBN from human GRPR overexpressed in human T47D cells


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381919
PNG
(CHEMBL2023114)
Show SMILES CNC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F6N4O4S/c1-33-23(37)24(12-3-13-24)18-4-2-5-19-21(18)36(14-15-6-11-20(25(27,28)29)35-22(15)34-19)41(38,39)17-9-7-16(8-10-17)40-26(30,31)32/h2,4-11H,3,12-14H2,1H3,(H,33,37)(H,34,35)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400249
PNG
(CHEMBL2179916)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(O)c12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)29-13-14-7-12-19(23(24,25)26)28-21(14)27-17-5-4-6-18(30)20(17)29/h4-12,30H,13H2,1-3H3,(H,27,28)
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Bombesin


(RAT)
BDBM50314969
PNG
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)
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n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from rat BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400253
PNG
(CHEMBL2179912)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(Cl)c12)C(F)(F)F
Show InChI InChI=1S/C23H21ClF3N3O2S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)30-13-14-7-12-19(23(25,26)27)29-21(14)28-18-6-4-5-17(24)20(18)30/h4-12H,13H2,1-3H3,(H,28,29)
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400243
PNG
(CHEMBL2179476)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O3S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(21(23,24)25)30-20(14)29-17)35(32,33)16-7-5-15(6-8-16)34-22(26,27)28/h3-10H,11H2,1-2H3,(H,29,30)
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381914
PNG
(CHEMBL2023109 | MK-7725)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381914
PNG
(CHEMBL2023109 | MK-7725)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400258
PNG
(CHEMBL2179907)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N
Show InChI InChI=1S/C25H26N4O2S/c1-16-6-13-22-23(17(16)2)29(15-18-7-10-20(14-26)27-24(18)28-22)32(30,31)21-11-8-19(9-12-21)25(3,4)5/h6-13H,15H2,1-5H3,(H,27,28)
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50336887
PNG
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)
Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-n2cccn2)[nH]1
Show InChI InChI=1S/C20H26N4O/c1-19(2,3)12-16-14-21-18(23-16)13-20(4,25)15-6-8-17(9-7-15)24-11-5-10-22-24/h5-11,14,25H,12-13H2,1-4H3,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400250
PNG
(CHEMBL2179915)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(c(F)c12)C(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C26H27F4N3O3S/c1-24(2,3)16-7-9-17(10-8-16)37(35,36)33-14-15-6-13-20(26(28,29)30)32-23(15)31-19-12-11-18(25(4,5)34)21(27)22(19)33/h6-13,34H,14H2,1-5H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400248
PNG
(CHEMBL2179917)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2S/c1-14-5-11-18-21(27-14)30(13-15-6-12-19(23(24,25)26)29-20(15)28-18)33(31,32)17-9-7-16(8-10-17)22(2,3)4/h5-12H,13H2,1-4H3,(H,28,29)
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n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
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