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PubMed code 22944117

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Glucagon-like peptide 2 receptor


(Homo sapiens (Human))
BDBM50398387
PNG
(CHEMBL2177395)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C165H254N44O55S/c1-22-77(11)126(157(256)187-96(45-47-115(168)215)142(241)207-130(84(18)212)161(260)186-94(43-34-35-50-166)141(240)203-129(80(14)25-4)160(259)209-131(85(19)213)162(261)201-112(164(263)264)67-125(230)231)204-152(251)101(55-76(9)10)190-146(245)104(58-89-68-176-93-42-33-32-41-91(89)93)193-148(247)106(61-117(170)217)200-158(257)127(78(12)23-2)205-153(252)103(57-88-39-30-27-31-40-88)191-150(249)110(65-123(226)227)196-138(237)95(44-36-51-175-165(172)173)183-134(233)82(16)179-133(232)81(15)181-143(242)99(53-74(5)6)189-147(246)105(60-116(169)216)195-151(250)111(66-124(228)229)197-144(243)100(54-75(7)8)199-159(258)128(79(13)24-3)206-163(262)132(86(20)214)208-154(253)107(62-118(171)218)194-140(239)98(49-52-265-21)185-139(238)97(46-48-120(220)221)184-149(248)109(64-122(224)225)198-156(255)114(72-211)202-145(244)102(56-87-37-28-26-29-38-87)192-155(254)113(71-210)182-119(219)70-177-137(236)108(63-121(222)223)188-135(234)83(17)180-136(235)92(167)59-90-69-174-73-178-90/h26-33,37-42,68-69,73-86,92,94-114,126-132,176,210-214H,22-25,34-36,43-67,70-72,166-167H2,1-21H3,(H2,168,215)(H2,169,216)(H2,170,217)(H2,171,218)(H,174,178)(H,177,236)(H,179,232)(H,180,235)(H,181,242)(H,182,219)(H,183,233)(H,184,248)(H,185,238)(H,186,260)(H,187,256)(H,188,234)(H,189,246)(H,190,245)(H,191,249)(H,192,254)(H,193,247)(H,194,239)(H,195,250)(H,196,237)(H,197,243)(H,198,255)(H,199,258)(H,200,257)(H,201,261)(H,202,244)(H,203,240)(H,204,251)(H,205,252)(H,206,262)(H,207,241)(H,208,253)(H,209,259)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,263,264)(H4,172,173,175)/t77-,78-,79-,80-,81-,82-,83-,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,126-,127-,128-,129-,130-,131-,132-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0970n/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Positive ago-allosteric modulation of GLP2R overexpressed in human SE302 cells assessed as placental alkaline phosphatase activation measured on day ...


Bioorg Med Chem Lett 22: 6126-35 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.026
BindingDB Entry DOI: 10.7270/Q2VX0HPV
More data for this
Ligand-Target Pair
Glucagon-like peptide 2 receptor


(Homo sapiens (Human))
BDBM50398386
PNG
(CHEMBL2177393)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r,wU:122.125,114.117,98.105,82.89,72.75,53.60,38.40,16.28,4.4,151.153,152.156,167.169,182.184,wD:118.121,128.132,131.134,106.113,90.97,77.80,61.71,42.52,135.138,30.36,8.12,2.2,142.144,158.160,168.171,175.177,176.180,(66.89,-41.74,;66.89,-43.28,;68.23,-44.05,;69.56,-43.27,;68.23,-45.59,;66.89,-46.37,;65.56,-45.59,;65.56,-44.05,;64.22,-46.36,;64.22,-47.9,;65.56,-48.67,;65.56,-50.21,;66.9,-47.9,;62.89,-45.6,;61.56,-46.37,;61.56,-47.91,;60.22,-45.6,;60.22,-44.05,;61.56,-43.29,;62.95,-43.91,;63.98,-42.76,;63.21,-41.43,;63.68,-39.97,;62.66,-38.83,;61.15,-39.15,;60.68,-40.62,;61.71,-41.76,;58.88,-46.37,;57.55,-45.6,;57.55,-44.06,;56.22,-46.38,;56.22,-47.92,;57.55,-48.69,;58.89,-47.92,;57.55,-50.23,;54.88,-45.61,;53.54,-46.38,;53.54,-47.92,;52.22,-45.61,;50.87,-46.38,;49.54,-45.62,;49.54,-44.07,;48.2,-46.39,;48.2,-47.93,;49.54,-48.7,;50.87,-47.92,;52.21,-48.69,;52.21,-50.22,;50.88,-51,;49.55,-50.23,;46.88,-45.62,;45.53,-46.39,;45.53,-47.93,;44.2,-45.62,;44.2,-44.08,;45.53,-43.3,;46.87,-44.08,;45.53,-41.76,;42.87,-46.4,;41.54,-45.62,;41.54,-44.08,;40.19,-46.39,;40.19,-47.93,;41.54,-48.7,;41.54,-50.24,;42.87,-51.01,;42.87,-52.55,;41.54,-53.32,;44.21,-53.32,;38.86,-45.63,;37.53,-46.4,;37.53,-47.94,;36.2,-45.63,;36.2,-44.08,;34.86,-46.4,;33.53,-45.63,;33.53,-44.09,;32.19,-46.4,;32.19,-47.94,;30.86,-45.64,;29.52,-46.41,;29.52,-47.95,;28.19,-45.64,;28.19,-44.09,;29.52,-43.33,;29.52,-41.79,;30.85,-44.09,;26.85,-46.41,;25.52,-45.64,;25.52,-44.1,;24.18,-46.42,;24.18,-47.96,;25.52,-48.73,;26.86,-47.96,;25.52,-50.26,;22.85,-45.64,;21.51,-46.42,;21.51,-47.95,;20.18,-45.65,;20.18,-44.11,;21.51,-43.33,;22.85,-44.11,;21.51,-41.79,;18.84,-46.42,;17.51,-45.65,;17.51,-44.1,;16.17,-46.42,;16.17,-47.96,;17.51,-48.73,;17.51,-50.27,;18.85,-47.96,;14.84,-45.66,;13.51,-46.43,;13.51,-47.97,;12.17,-45.66,;10.83,-46.43,;9.5,-45.66,;9.5,-44.12,;8.17,-46.43,;6.83,-45.67,;5.49,-46.44,;5.49,-47.98,;4.16,-45.67,;2.83,-46.44,;4.16,-44.12,;5.49,-43.36,;6.83,-44.12,;5.49,-41.81,;8.17,-47.97,;6.83,-48.74,;9.5,-48.75,;12.17,-44.11,;13.51,-43.35,;10.83,-43.34,;10.83,-41.81,;52.22,-44.07,;53.54,-43.3,;50.87,-43.29,;50.87,-41.75,;69.56,-46.36,;69.56,-47.9,;70.9,-45.59,;72.23,-46.36,;72.23,-47.9,;73.56,-48.67,;73.56,-50.2,;72.24,-50.97,;74.9,-50.98,;73.56,-45.59,;73.56,-44.04,;74.9,-46.35,;76.24,-45.58,;76.24,-44.04,;74.9,-43.26,;77.57,-43.27,;77.57,-46.35,;77.57,-47.89,;78.9,-45.58,;80.24,-46.35,;80.24,-47.88,;81.58,-48.66,;81.58,-50.2,;82.91,-50.97,;82.91,-52.51,;81.58,-45.57,;81.58,-44.03,;82.91,-46.34,;84.24,-45.57,;84.24,-44.02,;85.58,-43.26,;82.91,-43.25,;82.91,-41.72,;85.58,-46.34,;85.58,-47.88,;86.92,-45.57,;88.24,-46.33,;88.24,-47.87,;86.92,-48.65,;89.58,-48.64,;89.58,-45.56,;89.58,-44.02,;90.92,-46.33,;92.25,-45.56,;92.25,-44.02,;93.58,-43.24,;94.92,-44.02,;93.58,-41.7,;93.58,-46.33,;94.92,-45.55,;93.58,-47.87,)|
Show InChI InChI=1S/C121H194N32O37/c1-20-57(11)91(113(182)136-73(38-39-84(124)157)103(172)152-95(63(17)154)117(186)135-71(36-29-30-40-122)102(171)147-94(60(14)23-4)116(185)153-96(64(18)155)118(187)146-83(120(189)190)52-90(165)166)148-111(180)76(44-56(9)10)138-106(175)78(46-67-53-131-70-35-28-27-34-68(67)70)140-108(177)80(49-87(127)160)145-114(183)92(58(12)21-2)149-112(181)77(45-66-32-25-24-26-33-66)139-109(178)81(50-88(161)162)142-101(170)72(37-31-41-130-121(128)129)134-99(168)62(16)132-98(167)61(15)133-104(173)74(42-54(5)6)137-107(176)79(48-86(126)159)141-110(179)82(51-89(163)164)143-105(174)75(43-55(7)8)144-115(184)93(59(13)22-3)150-119(188)97(65(19)156)151-100(169)69(123)47-85(125)158/h24-28,32-35,53-65,69,71-83,91-97,131,154-156H,20-23,29-31,36-52,122-123H2,1-19H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,132,167)(H,133,173)(H,134,168)(H,135,186)(H,136,182)(H,137,176)(H,138,175)(H,139,178)(H,140,177)(H,141,179)(H,142,170)(H,143,174)(H,144,184)(H,145,183)(H,146,187)(H,147,171)(H,148,180)(H,149,181)(H,150,188)(H,151,169)(H,152,172)(H,153,185)(H,161,162)(H,163,164)(H,165,166)(H,189,190)(H4,128,129,130)/t57-,58-,59-,60-,61-,62-,63+,64+,65+,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,91-,92-,93-,94-,95-,96-,97-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Positive ago-allosteric modulation of GLP2R overexpressed in human SE302 cells assessed as placental alkaline phosphatase activation measured on day ...


Bioorg Med Chem Lett 22: 6126-35 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.026
BindingDB Entry DOI: 10.7270/Q2VX0HPV
More data for this
Ligand-Target Pair
Glucagon-like peptide 2 receptor


(Homo sapiens (Human))
BDBM50398385
PNG
(CHEMBL2177394)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C156H242N40O53S/c1-21-73(11)119(148(241)175-90(44-46-108(159)202)133(226)194-123(79(17)199)152(245)174-88(42-33-34-49-157)132(225)190-122(76(14)24-4)151(244)196-124(80(18)200)153(246)188-105(155(248)249)65-118(217)218)191-143(236)95(54-72(9)10)177-137(230)98(57-84-66-166-87-41-32-31-40-85(84)87)180-139(232)100(60-110(161)204)187-149(242)120(74(12)22-2)192-144(237)97(56-83-38-29-26-30-39-83)178-141(234)103(63-116(213)214)183-129(222)89(43-35-50-165-156(163)164)171-127(220)78(16)168-126(219)77(15)169-134(227)93(52-70(5)6)176-138(231)99(59-109(160)203)182-142(235)104(64-117(215)216)184-135(228)94(53-71(7)8)186-150(243)121(75(13)23-3)193-154(247)125(81(19)201)195-145(238)101(61-111(162)205)181-131(224)92(48-51-250-20)173-130(223)91(45-47-113(207)208)172-140(233)102(62-115(211)212)185-147(240)107(69-198)189-136(229)96(55-82-36-27-25-28-37-82)179-146(239)106(68-197)170-112(206)67-167-128(221)86(158)58-114(209)210/h25-32,36-41,66,70-81,86,88-107,119-125,166,197-201H,21-24,33-35,42-65,67-69,157-158H2,1-20H3,(H2,159,202)(H2,160,203)(H2,161,204)(H2,162,205)(H,167,221)(H,168,219)(H,169,227)(H,170,206)(H,171,220)(H,172,233)(H,173,223)(H,174,245)(H,175,241)(H,176,231)(H,177,230)(H,178,234)(H,179,239)(H,180,232)(H,181,224)(H,182,235)(H,183,222)(H,184,228)(H,185,240)(H,186,243)(H,187,242)(H,188,246)(H,189,229)(H,190,225)(H,191,236)(H,192,237)(H,193,247)(H,194,226)(H,195,238)(H,196,244)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,248,249)(H4,163,164,165)/t73-,74-,75-,76-,77-,78-,79+,80+,81+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,119-,120-,121-,122-,123-,124-,125-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Positive ago-allosteric modulation of GLP2R overexpressed in human SE302 cells assessed as placental alkaline phosphatase activation measured on day ...


Bioorg Med Chem Lett 22: 6126-35 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.026
BindingDB Entry DOI: 10.7270/Q2VX0HPV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%