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Compile Data Set for Download or QSAR

Found 4 hits of ec50 data for polymerid = 50007575   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon-like peptide 1 receptor


(Macaca fascicularis)
BDBM50275566
PNG
(CHEMBL4128276)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C149H225N39O46/c1-17-76(10)119(145(230)166-80(14)125(210)174-104(60-86-63-158-91-36-25-24-35-89(86)91)135(220)176-100(56-73(4)5)136(221)185-117(74(6)7)143(228)173-92(37-26-28-52-150)127(212)159-66-111(197)168-98(148(233)234)39-30-54-157-149(154)155)187-137(222)102(57-83-31-20-18-21-32-83)177-132(217)97(47-51-115(203)204)172-131(216)93(38-27-29-53-151)169-123(208)78(12)163-122(207)77(11)165-130(215)96(44-48-109(153)195)167-110(196)65-160-129(214)95(46-50-114(201)202)171-133(218)99(55-72(2)3)175-134(219)101(59-85-40-42-88(194)43-41-85)178-140(225)106(68-189)181-142(227)108(70-191)182-144(229)118(75(8)9)186-139(224)105(62-116(205)206)179-141(226)107(69-190)183-147(232)121(82(16)193)188-138(223)103(58-84-33-22-19-23-34-84)180-146(231)120(81(15)192)184-112(198)67-161-128(213)94(45-49-113(199)200)170-124(209)79(13)164-126(211)90(152)61-87-64-156-71-162-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,158,189-194H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,195)(H,156,162)(H,159,212)(H,160,214)(H,161,213)(H,163,207)(H,164,211)(H,165,215)(H,166,230)(H,167,196)(H,168,197)(H,169,208)(H,170,209)(H,171,218)(H,172,216)(H,173,228)(H,174,210)(H,175,219)(H,176,220)(H,177,217)(H,178,225)(H,179,226)(H,180,231)(H,181,227)(H,182,229)(H,183,232)(H,184,198)(H,185,221)(H,186,224)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,154,155,157)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00110n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at monkey GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay


J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Macaca fascicularis)
BDBM50275568
PNG
(CHEMBL4126738)
Show SMILES CCCCCCCCCCCCCCCCC(=O)[C@H](CCN[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C219H349N55O61/c1-19-21-22-23-24-25-26-27-28-29-30-31-32-39-75-164(280)133(213(330)331)88-95-232-147(214(332)333)79-85-168(284)233-93-51-46-67-139(245-189(306)142(77-83-166(226)282)248-186(303)138(66-44-49-91-222)247-201(318)157(116-276)261-194(311)149(102-120(5)6)254-197(314)155(109-175(294)295)259-202(319)158(117-277)263-208(325)178(127(14)279)267-199(316)152(105-129-60-37-34-38-61-129)260-207(324)177(126(13)278)265-170(286)113-238-184(301)141(76-82-165(225)281)264-216(335)219(17,18)268-183(300)134(224)107-131-111-231-118-239-131)188(305)258-154(108-174(292)293)196(313)250-144(80-86-172(288)289)191(308)249-143(78-84-167(227)283)190(307)246-140(69-52-94-234-217(229)230)185(302)240-124(11)181(298)244-137(65-43-48-90-221)187(304)253-148(101-119(3)4)193(310)256-151(104-128-58-35-33-36-59-128)198(315)266-176(122(9)20-2)206(323)251-145(81-87-173(290)291)192(309)257-153(106-130-110-235-135-63-41-40-62-132(130)135)195(312)255-150(103-121(7)8)203(320)269-218(15,16)215(334)242-123(10)180(297)237-112-169(285)236-114-171(287)270-96-55-72-161(270)210(327)271-97-54-71-160(271)205(322)262-156(115-275)200(317)241-125(12)182(299)252-146(68-45-50-92-223)209(326)273-99-56-73-162(273)212(329)274-100-57-74-163(274)211(328)272-98-53-70-159(272)204(321)243-136(179(228)296)64-42-47-89-220/h33-38,40-41,58-63,110-111,118-127,133-134,136-163,176-178,232,235,275-279H,19-32,39,42-57,64-109,112-117,220-224H2,1-18H3,(H2,225,281)(H2,226,282)(H2,227,283)(H2,228,296)(H,231,239)(H,233,284)(H,236,285)(H,237,297)(H,238,301)(H,240,302)(H,241,317)(H,242,334)(H,243,321)(H,244,298)(H,245,306)(H,246,307)(H,247,318)(H,248,303)(H,249,308)(H,250,313)(H,251,323)(H,252,299)(H,253,304)(H,254,314)(H,255,312)(H,256,310)(H,257,309)(H,258,305)(H,259,319)(H,260,324)(H,261,311)(H,262,322)(H,263,325)(H,264,335)(H,265,286)(H,266,315)(H,267,316)(H,268,300)(H,269,320)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,330,331)(H,332,333)(H4,229,230,234)/t122-,123-,124-,125-,126+,127+,133-,134-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,176-,177-,178-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00220n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at monkey GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay


J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Macaca fascicularis)
BDBM50275565
PNG
(CHEMBL4125912)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C173H267N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-31-38-54-130(225)196-117(171(266)267)60-65-129(224)181-69-42-41-51-112(154(249)200-116(63-68-136(233)234)155(250)205-121(74-101-45-34-32-35-46-101)160(255)215-141(94(11)19-2)168(263)193-98(15)147(242)202-123(77-104-80-184-109-50-40-39-49-107(104)109)158(253)204-119(73-91(5)6)159(254)213-139(92(7)8)166(261)201-111(53-44-71-183-173(178)179)150(245)185-82-131(226)194-110(52-43-70-182-172(176)177)149(244)188-85-138(237)238)197-145(240)96(13)190-144(239)95(12)192-153(248)115(59-64-128(175)223)195-132(227)83-186-152(247)114(62-67-135(231)232)199-156(251)118(72-90(3)4)203-157(252)120(76-103-55-57-106(222)58-56-103)206-163(258)125(86-217)209-165(260)127(88-219)210-167(262)140(93(9)10)214-162(257)124(79-137(235)236)207-164(259)126(87-218)211-170(265)143(100(17)221)216-161(256)122(75-102-47-36-33-37-48-102)208-169(264)142(99(16)220)212-133(228)84-187-151(246)113(61-66-134(229)230)198-146(241)97(14)191-148(243)108(174)78-105-81-180-89-189-105/h32-37,39-40,45-50,55-58,80-81,89-100,108,110-127,139-143,184,217-222H,18-31,38,41-44,51-54,59-79,82-88,174H2,1-17H3,(H2,175,223)(H,180,189)(H,181,224)(H,185,245)(H,186,247)(H,187,246)(H,188,244)(H,190,239)(H,191,243)(H,192,248)(H,193,263)(H,194,226)(H,195,227)(H,196,225)(H,197,240)(H,198,241)(H,199,251)(H,200,249)(H,201,261)(H,202,242)(H,203,252)(H,204,253)(H,205,250)(H,206,258)(H,207,259)(H,208,264)(H,209,260)(H,210,262)(H,211,265)(H,212,228)(H,213,254)(H,214,257)(H,215,255)(H,216,256)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,266,267)(H4,176,177,182)(H4,178,179,183)/t94-,95-,96-,97-,98-,99+,100+,108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,139-,140-,141-,142-,143-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00410n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at monkey GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay


J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Macaca fascicularis)
BDBM50266693
PNG
(CHEBI:5391 | Glucagen Hypokit | Glucagon | Glucago...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0310n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at monkey GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay


J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair