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Compile Data Set for Download or QSAR

Found 618 hits with Last Name = 'fehrentz' and Initial = 'ja'   
Target/Host
(Institution)
LigandTarget/Host
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
Gastrin-releasing peptide receptor


(RAT)
BDBM50005601
PNG
(CHEMBL2369819)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H76N14O10/c1-32(2)22-44(50(61)74)68-55(79)45(23-33(3)4)69-56(80)47(26-38-29-62-31-64-38)71-57(81)48-27-39(30-72(48)58(82)36-16-10-7-11-17-36)66-51(75)34(5)65-54(78)46(25-37-28-63-42-19-13-12-18-40(37)42)70-53(77)43(20-21-49(60)73)67-52(76)41(59)24-35-14-8-6-9-15-35/h6-19,28-29,31-34,39,41,43-48,63H,20-27,30,59H2,1-5H3,(H2,60,73)(H2,61,74)(H,62,64)(H,65,78)(H,66,75)(H,67,76)(H,68,79)(H,69,80)(H,70,77)(H,71,81)/t34-,39-,41+,43-,44-,45-,46-,47-,48-/m0/s1
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>0n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.


J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(RAT)
BDBM50408923
PNG
(CHEMBL2114155)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C52H72N14O10/c1-28(2)19-39(45(55)69)63-50(74)40(20-29(3)4)64-51(75)42(23-33-25-56-27-58-33)60-44(68)26-66-18-17-38(52(66)76)62-46(70)30(5)59-49(73)41(22-32-24-57-36-14-10-9-13-34(32)36)65-48(72)37(15-16-43(54)67)61-47(71)35(53)21-31-11-7-6-8-12-31/h6-14,24-25,27-30,35,37-42,57H,15-23,26,53H2,1-5H3,(H2,54,67)(H2,55,69)(H,56,58)(H,59,73)(H,60,68)(H,61,71)(H,62,70)(H,63,74)(H,64,75)(H,65,72)/t30-,35+,37-,38+,39-,40-,41-,42-/m0/s1
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>0n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.


J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546842
PNG
(CHEMBL4761419)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CC#N)cc1 |r|
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0.450n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546842
PNG
(CHEMBL4761419)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CC#N)cc1 |r|
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0.450n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546817
PNG
(CHEMBL4760409)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(OC)cc2)\C#N)cc1 |r|
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546817
PNG
(CHEMBL4760409)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(OC)cc2)\C#N)cc1 |r|
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546819
PNG
(CHEMBL4793824)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(F)cc2)\C#N)cc1 |r|
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546819
PNG
(CHEMBL4793824)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(F)cc2)\C#N)cc1 |r|
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM102978
PNG
(US8546435, 6)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 |r|
Show InChI InChI=1S/C32H34N6O4/c1-21(40)34-28(16-22-8-4-3-5-9-22)31-36-37-32(38(31)19-23-12-14-25(42-2)15-13-23)29(35-30(41)20-39)17-24-18-33-27-11-7-6-10-26(24)27/h3-15,18,28-29,33,39H,16-17,19-20H2,1-2H3,(H,34,40)(H,35,41)/t28-,29-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546815
PNG
(CHEMBL4744051)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(C)cc2)\C#N)cc1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546815
PNG
(CHEMBL4744051)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(C)cc2)\C#N)cc1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50517283
PNG
(CHEMBL425281)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay


J Med Chem 62: 965-973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50517281
PNG
(CHEMBL4517399)
Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r|
Show InChI InChI=1S/C190H314N64O58S4/c1-19-21-41-102(192)148(276)252-145(98(18)262)182(310)254-68-37-51-131(254)174(302)237-118(72-99-38-23-22-24-39-99)161(289)234-119(73-100-76-215-103-42-26-25-40-101(100)103)162(290)221-104(44-29-60-208-184(194)195)149(277)216-78-135(265)247-140(91(9)10)178(306)242-125(82-258)167(295)232-115(69-88(3)4)158(286)229-113(50-35-66-214-190(206)207)181(309)253-67-36-52-132(253)175(303)249-142(93(13)20-2)176(304)217-77-134(264)218-94(14)146(274)238-122(79-255)168(296)246-128-85-314-313-84-127-170(298)225-107(46-31-62-210-186(198)199)152(280)222-105(43-27-28-59-191)150(278)223-106(45-30-61-209-185(196)197)151(279)224-109(48-33-64-212-188(202)203)155(283)243-129(172(300)241-124(81-257)166(294)233-116(70-89(5)6)159(287)240-126(83-259)169(297)248-141(92(11)12)177(305)219-95(15)147(275)220-111(53-56-133(193)263)156(284)230-114(183(311)312)55-58-137(268)269)86-315-316-87-130(173(301)250-144(97(17)261)180(308)251-143(96(16)260)179(307)228-110(49-34-65-213-189(204)205)154(282)231-117(71-90(7)8)160(288)245-127)244-157(285)112(54-57-136(266)267)227-165(293)123(80-256)239-164(292)121(75-139(272)273)236-163(291)120(74-138(270)271)235-153(281)108(226-171(128)299)47-32-63-211-187(200)201/h22-26,38-40,42,76,88-98,102,104-132,140-145,215,255-262H,19-21,27-37,41,43-75,77-87,191-192H2,1-18H3,(H2,193,263)(H,216,277)(H,217,304)(H,218,264)(H,219,305)(H,220,275)(H,221,290)(H,222,280)(H,223,278)(H,224,279)(H,225,298)(H,226,299)(H,227,293)(H,228,307)(H,229,286)(H,230,284)(H,231,282)(H,232,295)(H,233,294)(H,234,289)(H,235,281)(H,236,291)(H,237,302)(H,238,274)(H,239,292)(H,240,287)(H,241,300)(H,242,306)(H,243,283)(H,244,285)(H,245,288)(H,246,296)(H,247,265)(H,248,297)(H,249,303)(H,250,301)(H,251,308)(H,252,276)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,194,195,208)(H4,196,197,209)(H4,198,199,210)(H4,200,201,211)(H4,202,203,212)(H4,204,205,213)(H4,206,207,214)/t93-,94+,95-,96+,97+,98+,102-,104-,105-,106-,107-,108+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121+,122+,123-,124-,125-,126-,127-,128+,129-,130-,131-,132-,140-,141-,142-,143-,144-,145-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay


J Med Chem 62: 965-973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546828
PNG
(CHEMBL4753046)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(OC)cc2)\C#N)cc1 |r|
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546828
PNG
(CHEMBL4753046)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(OC)cc2)\C#N)cc1 |r|
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(RAT)
BDBM50089280
PNG
(CHEMBL437655 | JMV 1535)
Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C54H76N14O10/c1-30(2)21-41(47(57)71)65-52(76)42(22-31(3)4)66-53(77)44(25-35-27-58-29-60-35)62-46(70)28-68-20-12-11-17-40(54(68)78)64-48(72)32(5)61-51(75)43(24-34-26-59-38-16-10-9-15-36(34)38)67-50(74)39(18-19-45(56)69)63-49(73)37(55)23-33-13-7-6-8-14-33/h6-10,13-16,26-27,29-32,37,39-44,59H,11-12,17-25,28,55H2,1-5H3,(H2,56,69)(H2,57,71)(H,58,60)(H,61,75)(H,62,70)(H,63,73)(H,64,72)(H,65,76)(H,66,77)(H,67,74)/t32?,37-,39?,40?,41?,42?,43?,44?/m1/s1
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1.70n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.


J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(RAT)
BDBM50089284
PNG
(CHEMBL265856 | JMV 1803)
Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O)C(N)=O
Show InChI InChI=1S/C54H75N13O11/c1-30(2)22-41(48(56)72)64-52(76)42(23-31(3)4)65-53(77)44(25-35-27-57-29-59-35)62-47(71)28-67-21-9-8-12-40(54(67)78)63-49(73)32(5)60-51(75)43(24-34-26-58-38-11-7-6-10-37(34)38)66-50(74)39(18-19-45(55)69)61-46(70)20-15-33-13-16-36(68)17-14-33/h6-7,10-11,13-14,16-17,26-27,29-32,39-44,58,68H,8-9,12,15,18-25,28H2,1-5H3,(H2,55,69)(H2,56,72)(H,57,59)(H,60,75)(H,61,70)(H,62,71)(H,63,73)(H,64,76)(H,65,77)(H,66,74)
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1.80n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.


J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM102979
PNG
(US8546435, 7)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C35H39N7O4/c1-23(43)38-30(18-24-8-4-3-5-9-24)33-40-41-34(42(33)22-25-12-14-27(45-2)15-13-25)31(39-35(44)32-21-36-16-17-46-32)19-26-20-37-29-11-7-6-10-28(26)29/h3-15,20,30-32,36-37H,16-19,21-22H2,1-2H3,(H,38,43)(H,39,44)/t30-,31-,32+/m1/s1
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2n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165587
PNG
(CHEMBL3800298)
Show SMILES COc1ccc(Cn2c(nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O)cc1
Show InChI InChI=1S/C50H64N10O5/c1-30(2)23-44(54-32(5)61)49(63)57-45(24-31(3)4)50(64)56-43(26-36-28-53-41-14-10-8-12-39(36)41)47-59-58-46(60(47)29-33-15-17-37(65-6)18-16-33)42(55-48(62)34-19-21-51-22-20-34)25-35-27-52-40-13-9-7-11-38(35)40/h7-18,27-28,30-31,34,42-45,51-53H,19-26,29H2,1-6H3,(H,54,61)(H,55,62)(H,56,64)(H,57,63)/t42-,43-,44+,45?/m1/s1
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2 -49.7n/an/an/an/an/an/a25



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546818
PNG
(CHEMBL4745116)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(cc2)N(C)C)\C#N)cc1 |r|
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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546818
PNG
(CHEMBL4745116)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(cc2)N(C)C)\C#N)cc1 |r|
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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165582
PNG
(CHEMBL3797225)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C38H45N9O3/c1-24(48)43-34(19-26-21-41-32-12-5-3-9-29(26)32)36-45-46-37(47(36)23-25-14-16-28(50-2)17-15-25)35(44-38(49)31(40)11-7-8-18-39)20-27-22-42-33-13-6-4-10-30(27)33/h3-6,9-10,12-17,21-22,31,34-35,41-42H,7-8,11,18-20,23,39-40H2,1-2H3,(H,43,48)(H,44,49)/t31-,34+,35+/m0/s1
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2.5 -49.1n/an/an/an/an/an/a25



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50517280
PNG
(CHEMBL4463042)
Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C68H106N20O14/c1-7-8-21-43(69)57(93)86-55(39(6)90)66(102)88-30-17-26-52(88)63(99)83-48(32-40-18-10-9-11-19-40)60(96)82-49(33-41-34-77-44-22-13-12-20-42(41)44)61(97)79-45(23-14-27-75-67(71)72)58(94)78-35-53(91)85-54(38(4)5)64(100)84-50(36-89)62(98)81-47(31-37(2)3)59(95)80-46(24-15-28-76-68(73)74)65(101)87-29-16-25-51(87)56(70)92/h9-13,18-20,22,34,37-39,43,45-52,54-55,77,89-90H,7-8,14-17,21,23-33,35-36,69H2,1-6H3,(H2,70,92)(H,78,94)(H,79,97)(H,80,95)(H,81,98)(H,82,96)(H,83,99)(H,84,100)(H,85,91)(H,86,93)(H4,71,72,75)(H4,73,74,76)/t39-,43+,45+,46+,47+,48+,49+,50+,51+,52+,54+,55+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay


J Med Chem 62: 965-973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546816
PNG
(CHEMBL4777792)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1 |r|
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546824
PNG
(CHEMBL4753794)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)C(=C\c2ccc(OC)cc2)\C#N)cc1 |r|
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165588
PNG
(CHEMBL3800422)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C48H61N9O6/c1-28(2)21-41(51-30(5)58)45(59)53-42(22-29(3)4)46(60)52-39(23-32-25-49-37-15-11-9-13-35(32)37)43-55-56-44(57(43)27-31-17-19-34(63-8)20-18-31)40(54-47(61)48(6,7)62)24-33-26-50-38-16-12-10-14-36(33)38/h9-20,25-26,28-29,39-42,49-50,62H,21-24,27H2,1-8H3,(H,51,58)(H,52,60)(H,53,59)(H,54,61)/t39-,40-,41+,42+/m1/s1
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3 -48.6n/an/an/an/an/an/a25



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165589
PNG
(CHEMBL3798095)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 |r|
Show InChI InChI=1S/C46H57N9O6/c1-27(2)19-40(49-29(5)57)45(59)52-41(20-28(3)4)46(60)51-39(22-32-24-48-37-14-10-8-12-35(32)37)44-54-53-43(55(44)25-30-15-17-33(61-6)18-16-30)38(50-42(58)26-56)21-31-23-47-36-13-9-7-11-34(31)36/h7-18,23-24,27-28,38-41,47-48,56H,19-22,25-26H2,1-6H3,(H,49,57)(H,50,58)(H,51,60)(H,52,59)/t38-,39-,40+,41+/m1/s1
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3 -48.6n/an/an/an/an/an/a25



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546816
PNG
(CHEMBL4777792)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1 |r|
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546824
PNG
(CHEMBL4753794)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)C(=C\c2ccc(OC)cc2)\C#N)cc1 |r|
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50517278
PNG
(CHEMBL4475293)
Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C76H120N22O16/c1-9-11-24-48(77)63(103)96-62(44(8)100)74(114)98-33-20-28-56(98)69(109)92-53(35-45-21-13-12-14-22-45)66(106)91-54(36-46-37-85-49-25-16-15-23-47(46)49)67(107)88-50(26-17-30-83-75(79)80)64(104)87-39-59(102)94-60(42(5)6)72(112)93-55(40-99)68(108)90-52(34-41(3)4)65(105)89-51(27-18-31-84-76(81)82)73(113)97-32-19-29-57(97)70(110)95-61(43(7)10-2)71(111)86-38-58(78)101/h12-16,21-23,25,37,41-44,48,50-57,60-62,85,99-100H,9-11,17-20,24,26-36,38-40,77H2,1-8H3,(H2,78,101)(H,86,111)(H,87,104)(H,88,107)(H,89,105)(H,90,108)(H,91,106)(H,92,109)(H,93,112)(H,94,102)(H,95,110)(H,96,103)(H4,79,80,83)(H4,81,82,84)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay


J Med Chem 62: 965-973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(RAT)
BDBM50089285
PNG
(CHEMBL415110 | JMV 1799)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C49H65N11O11/c1-28(2)21-40(49(70)71-4)59-47(68)39(23-32-25-51-27-53-32)56-43(64)26-60-20-8-7-11-37(48(60)69)57-44(65)29(3)54-46(67)38(22-31-24-52-35-10-6-5-9-34(31)35)58-45(66)36(17-18-41(50)62)55-42(63)19-14-30-12-15-33(61)16-13-30/h5-6,9-10,12-13,15-16,24-25,27-29,36-40,52,61H,7-8,11,14,17-23,26H2,1-4H3,(H2,50,62)(H,51,53)(H,54,67)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,68)
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3.10n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.


J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(RAT)
BDBM50089282
PNG
((D)Phe-Gln-Trp-Ala-Val-Gly-His-Leu-Leu-NH2 | CHEMB...)
Show SMILES CC(C)C[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](N)Cc1ccccc1)C(C)C)C(N)=O
Show InChI InChI=1S/C53H76N14O10/c1-28(2)19-39(46(56)70)64-51(75)40(20-29(3)4)65-52(76)42(23-34-25-57-27-60-34)62-44(69)26-59-53(77)45(30(5)6)67-47(71)31(7)61-50(74)41(22-33-24-58-37-16-12-11-15-35(33)37)66-49(73)38(17-18-43(55)68)63-48(72)36(54)21-32-13-9-8-10-14-32/h8-16,24-25,27-31,36,38-42,45,58H,17-23,26,54H2,1-7H3,(H2,55,68)(H2,56,70)(H,57,60)(H,59,77)(H,61,74)(H,62,69)(H,63,72)(H,64,75)(H,65,76)(H,66,73)(H,67,71)/t31-,36-,38-,39-,40-,41-,42-,45-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.


J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546831
PNG
(CHEMBL4781141)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C)(C)C#N)cc1 |r|
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3.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546831
PNG
(CHEMBL4781141)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C)(C)C#N)cc1 |r|
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TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50517279
PNG
(CHEMBL4456830)
Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H87N15O12/c1-7-8-19-37(58)49(77)71-47(33(6)74)56(84)72-24-15-22-44(72)54(82)68-41(26-34-16-10-9-11-17-34)51(79)67-42(27-35-28-63-38-20-13-12-18-36(35)38)52(80)65-39(21-14-23-62-57(60)61)50(78)64-29-45(75)70-46(32(4)5)55(83)69-43(30-73)53(81)66-40(48(59)76)25-31(2)3/h9-13,16-18,20,28,31-33,37,39-44,46-47,63,73-74H,7-8,14-15,19,21-27,29-30,58H2,1-6H3,(H2,59,76)(H,64,78)(H,65,80)(H,66,81)(H,67,79)(H,68,82)(H,69,83)(H,70,75)(H,71,77)(H4,60,61,62)/t33-,37+,39+,40+,41+,42+,43+,44+,46+,47+/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay


J Med Chem 62: 965-973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50517282
PNG
(CHEMBL4556887)
Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C76H119N21O17/c1-9-11-24-48(77)63(103)95-62(44(8)99)74(114)97-33-20-28-56(97)69(109)91-53(35-45-21-13-12-14-22-45)66(106)90-54(36-46-37-84-49-25-16-15-23-47(46)49)67(107)87-50(26-17-30-82-75(78)79)64(104)85-38-58(100)93-60(42(5)6)72(112)92-55(40-98)68(108)89-52(34-41(3)4)65(105)88-51(27-18-31-83-76(80)81)73(113)96-32-19-29-57(96)70(110)94-61(43(7)10-2)71(111)86-39-59(101)102/h12-16,21-23,25,37,41-44,48,50-57,60-62,84,98-99H,9-11,17-20,24,26-36,38-40,77H2,1-8H3,(H,85,104)(H,86,111)(H,87,107)(H,88,105)(H,89,108)(H,90,106)(H,91,109)(H,92,112)(H,93,100)(H,94,110)(H,95,103)(H,101,102)(H4,78,79,82)(H4,80,81,83)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay


J Med Chem 62: 965-973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50396915
PNG
(CHEMBL2170781)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r|
Show InChI InChI=1S/C51H67N9O6/c1-31(2)25-41(46(54)61)56-48(63)42(26-32(3)4)58-51(66)45(29-36-30-55-40-23-11-10-21-38(36)40)60-49(64)43(27-33-15-6-5-7-16-33)59-50(65)44(57-47(62)39(53)22-12-13-24-52)28-35-19-14-18-34-17-8-9-20-37(34)35/h5-11,14-21,23,30-32,39,41-45,55H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,66)(H,59,65)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay


J Med Chem 62: 965-973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(RAT)
BDBM50089281
PNG
(CHEMBL386480 | JMV 1802)
Show SMILES CCCCC(O)[C@@H](CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C52H73N11O10/c1-5-6-14-44(65)41(24-31(2)3)61-51(72)43(26-35-28-54-30-56-35)59-47(68)29-63-23-10-9-13-40(52(63)73)60-48(69)32(4)57-50(71)42(25-34-27-55-38-12-8-7-11-37(34)38)62-49(70)39(20-21-45(53)66)58-46(67)22-17-33-15-18-36(64)19-16-33/h7-8,11-12,15-16,18-19,27-28,30-32,39-44,55,64-65H,5-6,9-10,13-14,17,20-26,29H2,1-4H3,(H2,53,66)(H,54,56)(H,57,71)(H,58,67)(H,59,68)(H,60,69)(H,61,72)(H,62,70)/t32?,39?,40?,41-,42?,43?,44?/m1/s1
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3.80n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.


J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165592
PNG
(CHEMBL3799776)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 |r|
Show InChI InChI=1S/C36H34FN7O3/c1-23(45)40-31(19-24-9-4-3-5-10-24)34-42-43-35(44(34)22-25-14-16-27(47-2)17-15-25)32(41-36(46)33-29(37)12-8-18-38-33)20-26-21-39-30-13-7-6-11-28(26)30/h3-18,21,31-32,39H,19-20,22H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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4n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546843
PNG
(CHEMBL4780843)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C=C)cc1 |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546843
PNG
(CHEMBL4780843)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C=C)cc1 |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(RAT)
BDBM50089291
PNG
(CHEMBL415021 | JMV 1813)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O
Show InChI InChI=1S/C49H66N12O10/c1-28(2)20-40(49(70)71-4)60-47(68)39(23-32-25-52-27-54-32)56-42(63)26-61-19-11-10-16-37(48(61)69)58-43(64)29(3)55-46(67)38(22-31-24-53-35-15-9-8-14-33(31)35)59-45(66)36(17-18-41(51)62)57-44(65)34(50)21-30-12-6-5-7-13-30/h5-9,12-15,24-25,27-29,34,36-40,53H,10-11,16-23,26,50H2,1-4H3,(H2,51,62)(H,52,54)(H,55,67)(H,56,63)(H,57,65)(H,58,64)(H,59,66)(H,60,68)/t29?,34-,36?,37?,38?,39?,40?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.


J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546839
PNG
(CHEMBL4784240)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccc(nc2)C#N)cc1 |r|
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546839
PNG
(CHEMBL4784240)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccc(nc2)C#N)cc1 |r|
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TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546822
PNG
(CHEMBL4746362)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2c[nH]c3ccccc23)\C#N)cc1 |r|
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546822
PNG
(CHEMBL4746362)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2c[nH]c3ccccc23)\C#N)cc1 |r|
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TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546827
PNG
(CHEMBL4797064)
Show SMILES COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(cc2)N(C)C)\C#N)cc1 |r|
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546827
PNG
(CHEMBL4797064)
Show SMILES COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(=C\c2ccc(cc2)N(C)C)\C#N)cc1 |r|
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50517277
PNG
(CHEMBL4541252)
Show SMILES CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C48H71N13O9/c1-5-6-17-32(49)42(65)60-40(28(4)62)47(70)61-22-13-20-37(61)46(69)58-35(23-29-14-8-7-9-15-29)44(67)57-36(24-30-25-54-33-18-11-10-16-31(30)33)45(68)56-34(19-12-21-53-48(51)52)43(66)55-26-38(63)59-39(27(2)3)41(50)64/h7-11,14-16,18,25,27-28,32,34-37,39-40,54,62H,5-6,12-13,17,19-24,26,49H2,1-4H3,(H2,50,64)(H,55,66)(H,56,68)(H,57,67)(H,58,69)(H,59,63)(H,60,65)(H4,51,52,53)/t28-,32+,34+,35+,36+,37+,39+,40+/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay


J Med Chem 62: 965-973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01644
BindingDB Entry DOI: 10.7270/Q2348PR3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50546810
PNG
(CHEMBL4747770)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CCN(CC2)c2oc(C)nc2C#N)cc1 |r|
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6.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02122
BindingDB Entry DOI: 10.7270/Q28K7DN3
More data for this
Ligand-Target Pair
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