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Compile Data Set for Download or QSAR

Found 89 hits of kd data for polymerid = 50005946,7978   
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


(Homo sapiens (Human))
BDBM50087746
PNG
(CHEMBL428139 | GLP-1(7-37) | Glucagon like peptide...)
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)NCC(O)=O
Show InChI InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.510n/an/an/an/an/a



Novo Nordisk Als

Curated by ChEMBL


Assay Description
Binding affinity to human GLP1 receptor expressed in BHK cells


Proc Natl Acad Sci USA 104: 937-42 (2007)


Article DOI: 10.1073/pnas.0605701104
BindingDB Entry DOI: 10.7270/Q21R6RD8
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50121400
PNG
(CHEMBL3616752)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)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(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C187H291N45O59/c1-18-105(10)154(180(282)208-108(13)159(261)216-133(86-114-89-200-119-50-40-39-49-117(114)119)170(272)218-129(82-102(4)5)171(273)228-152(103(6)7)178(280)215-121(53-44-72-199-186(192)193)162(264)201-91-141(242)209-120(52-43-71-198-185(190)191)161(263)204-94-151(257)258)230-172(274)131(83-111-45-33-31-34-46-111)219-167(269)126(64-69-149(253)254)214-166(268)122(51-41-42-70-195-144(245)98-290-79-78-289-76-74-197-145(246)99-291-80-77-288-75-73-196-139(240)66-61-127(183(285)286)211-140(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-146(247)248)212-158(260)107(12)206-157(259)106(11)207-165(267)125(60-65-138(189)239)210-142(243)92-202-163(265)123(62-67-147(249)250)213-168(270)128(81-101(2)3)217-169(271)130(85-113-56-58-116(238)59-57-113)220-175(277)135(95-233)223-177(279)137(97-235)224-179(281)153(104(8)9)229-174(276)134(88-150(255)256)221-176(278)136(96-234)225-182(284)156(110(15)237)231-173(275)132(84-112-47-35-32-36-48-112)222-181(283)155(109(14)236)227-143(244)93-203-164(266)124(63-68-148(251)252)226-184(287)187(16,17)232-160(262)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,245)(H,196,240)(H,197,246)(H,201,264)(H,202,265)(H,203,266)(H,204,263)(H,206,259)(H,207,267)(H,208,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 441n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50593643
PNG
(CHEMBL5199198)
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(C)(C)N)[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)NCCCCCCCC(=O)NCCOCCOCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 532n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50593641
PNG
(CHEMBL5180864)
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(C)(C)N)[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)NCCCCCCCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 700n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50593640
PNG
(CHEMBL5175517)
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(C)(C)N)[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)NCCOCCOCC(=O)NCCOCCOCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 911n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50593639
PNG
(CHEMBL5191858)
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(C)(C)N)[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)NCCOCCOCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 994n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50593642
PNG
(CHEMBL5179465)
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(C)(C)N)[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)NCCCCCCCCCCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.46E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50593644
PNG
(CHEMBL5193167)
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(C)(C)N)[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)NCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.49E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50593638
PNG
(CHEMBL5194540)
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(C)(C)N)[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)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r|
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n/an/an/a 3.75E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240819
PNG
(CHEMBL4084119)
Show SMILES CCCCCCCCCCCCCCCC(=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/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1
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Article
PubMed
n/an/an/a 6.27E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116725
BindingDB Entry DOI: 10.7270/Q2QJ7N8R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620523
PNG
(2-((Bis(3-borono-5-(trifluoromethyl)phenyl)(oxo)-&...)
Show SMILES OB(O)c1cc(cc(c1)S(=O)(=NCC(O)=O)c1cc(cc(c1)C(F)(F)F)B(O)O)C(F)(F)F
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n/an/an/a 6.00E+4n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620519
PNG
((S)-2,3-Bis(1-hydroxy-4-(trifluoromethyl)-1,3-dihy...)
Show SMILES OB1OCc2c1cc(cc2C(F)(F)F)C(=O)NC[C@H](NC(=O)c1cc2B(O)OCc2c(c1)C(F)(F)F)C(O)=O |r|
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n/an/an/a 2.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620507
PNG
(3-Borono-5-(5-borono-2,4-difluorobenzoyl)benzoic a...)
Show SMILES OB(O)c1cc(cc(c1)C(=O)c1cc(B(O)O)c(F)cc1F)C(O)=O
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n/an/an/a 3.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620521
PNG
((3-Borono-5-((3-borono-5-(pentafluoro-λ6-sulf...)
Show SMILES OB(O)c1cc(cc(c1)S(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)B(O)O)C(=O)NCC(O)=O
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n/an/an/a 3.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620512
PNG
((3-Borono-5-((3-borono-5-(trifluoromethyl)phenyl)d...)
Show SMILES OB(O)c1cc(cc(c1)C(F)(F)c1cc(cc(c1)C(F)(F)F)B(O)O)C(=O)NCC(O)=O
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n/an/an/a 4.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620509
PNG
((S)-2,3-Bis(7-fluoro-1-hydroxy-1,3-dihydrobenzo[c]...)
Show SMILES OB1OCc2ccc(C(=O)NC[C@H](NC(=O)c3ccc4COB(O)c4c3F)C(O)=O)c(F)c12 |r|
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n/an/an/a 5.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620528
PNG
(2-((Bis(3-borono-5-chlorophenyl)(oxo)-λ6-sulf...)
Show SMILES OB(O)c1cc(Cl)cc(c1)S(=O)(=NCC(O)=O)c1cc(Cl)cc(c1)B(O)O
PDB

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n/an/an/a 6.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620536
PNG
(4-Borono-2-((3-borono-5-(trifluoromethyl)phenyl)su...)
Show SMILES OB(O)c1cc(cc(c1)S(=O)(=O)c1cc(cc(c1C(O)=O)C(F)(F)F)B(O)O)C(F)(F)F
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n/an/an/a 7.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620537
PNG
(2-((Bis(3-borono-5-(trifluoromethoxy)phenyl)(oxo)-...)
Show SMILES OB(O)c1cc(OC(F)(F)F)cc(c1)S(=O)(=NCC(O)=O)c1cc(OC(F)(F)F)cc(c1)B(O)O
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n/an/an/a 8.00E+5n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620499
PNG
(N-(7-Fluoro-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxab...)
Show SMILES OB1OCc2ccc(C(=O)NCCN(CC(O)=O)C(=O)c3ccc4COB(O)c4c3F)c(F)c12
PDB

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n/an/an/a 8.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620524
PNG
(N-(4-(Difluoromethyl)-1-hydroxy-1,3-dihydrobenzo[c...)
Show SMILES OB1OCc2c1cc(cc2C(F)F)C(=O)NCCN(CC(O)=O)C(=O)c1cc2B(O)OCc2c(c1)C(F)F
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n/an/an/a 8.00E+5n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620535
PNG
(N-(1-Hydroxy-4-((trifluoromethyl)sulfonyl)-1,3-dih...)
Show SMILES OB1OCc2c1cc(cc2S(=O)(=O)C(F)(F)F)C(=O)NCCN(CC(O)=O)C(=O)c1cc2B(O)OCc2c(c1)S(=O)(=O)C(F)(F)F
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n/an/an/a 1.10E+6n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620500
PNG
(3,5-Bis((7-fluoro-1-hydroxy-1,3-dihydrobenzo[c][1,...)
Show SMILES OB1OCc2ccc(C(=O)NCc3cc(CNC(=O)c4ccc5COB(O)c5c4F)cc(c3)C(O)=O)c(F)c12
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n/an/an/a 1.10E+6n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620520
PNG
(4-((3S,4S)-3,4-Bis(1-hydroxy-4-(trifluoromethyl)-1...)
Show SMILES OB1OCc2c1cc(cc2C(F)(F)F)C(=O)N[C@H]1CN(C[C@@H]1NC(=O)c1cc2B(O)OCc2c(c1)C(F)(F)F)C(=O)CCC(O)=O |r|
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n/an/an/a 1.10E+6n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620506
PNG
(3-Borono-5-(3-borono-5-fluorobenzoyl)benzoic acid ...)
Show SMILES OB(O)c1cc(F)cc(c1)C(=O)c1cc(cc(c1)C(O)=O)B(O)O
PDB

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n/an/an/a 1.10E+6n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620517
PNG
((3-Borono-5-((3-borono-5-fluorophenyl)sulfonyl)ben...)
Show SMILES OB(O)c1cc(F)cc(c1)S(=O)(=O)c1cc(cc(c1)C(=O)NCC(O)=O)B(O)O
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n/an/an/a 1.20E+6n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620518
PNG
(N-(1-Hydroxy-4-(trifluoromethyl)-1,3-dihydrobenzo[...)
Show SMILES OB1OCc2c1cc(cc2C(F)(F)F)C(=O)NCCN(CC(O)=O)C(=O)c1cc2B(O)OCc2c(c1)C(F)(F)F
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n/an/an/a 1.30E+6n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620534
PNG
(N-(1-Hydroxy-4-(methylsulfonyl)-1,3-dihydrobenzo[c...)
Show SMILES CS(=O)(=O)c1cc(cc2B(O)OCc12)C(=O)NCCN(CC(O)=O)C(=O)c1cc2B(O)OCc2c(c1)S(C)(=O)=O
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n/an/an/a 1.40E+6n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620501
PNG
(N-(5-Fluoro-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxab...)
Show SMILES OB1OCc2cc(F)c(cc12)C(=O)NCCN(CC(O)=O)C(=O)c1cc2B(O)OCc2cc1F
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n/an/an/a 1.50E+6n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620513
PNG
((3-Borono-5-(3-borono-5-(trifluoromethyl)benzoyl)b...)
Show SMILES OB(O)c1cc(cc(c1)C(=O)c1cc(cc(c1)C(F)(F)F)B(O)O)C(=O)NCC(O)=O
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n/an/an/a 1.50E+6n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620511
PNG
((S)-2,3-Bis(4-fluoro-1-hydroxy-1,3-dihydrobenzo[c]...)
Show SMILES OB1OCc2c1cc(cc2F)C(=O)NC[C@H](NC(=O)c1cc2B(O)OCc2c(F)c1)C(O)=O |r|
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n/an/an/a 1.60E+6n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620514
PNG
((3-Borono-5-((3-borono-5-(trifluoromethyl)phenyl)s...)
Show SMILES OB(O)c1cc(cc(c1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)B(O)O)C(=O)NCC(O)=O
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n/an/an/a 1.70E+6n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620505
PNG
(3-Borono-5-((3-borono-4-fluorophenyl)sulfonyl)-4-f...)
Show SMILES OB(O)c1cc(ccc1F)S(=O)(=O)c1cc(cc(B(O)O)c1F)C(O)=O
PDB

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n/an/an/a 1.80E+6n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620516
PNG
((3-Borono-5-(3-borono-5-fluorobenzoyl)benzoyl)glyc...)
Show SMILES OB(O)c1cc(F)cc(c1)C(=O)c1cc(cc(c1)C(=O)NCC(O)=O)B(O)O
PDB

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n/an/an/a 2.00E+6n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620533
PNG
((S)-2,3-Bis(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxab...)
Show SMILES C[O]=C(N[C@@H](CNC(=O)c1ccc2COB(O)c2c1)C(O)=O)c1ccc2COBc2c1 |r|
PDB

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n/an/an/a 2.00E+6n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620527
PNG
(2-((Bis(3-borono-5-(difluoromethyl)phenyl)(oxo)-&#...)
Show SMILES OB(O)c1cc(cc(c1)S(=O)(=NCC(O)=O)c1cc(cc(c1)C(F)F)B(O)O)C(F)F
PDB

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n/an/an/a 2.10E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620529
PNG
(2-((Bis(3-boronophenyl)(oxo)-λ6-sulfanylidene...)
Show SMILES OB(O)c1cccc(c1)S(=O)(=NCC(O)=O)c1cccc(c1)B(O)O
PDB

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n/an/an/a 2.30E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620522
PNG
(4-[(3R,4R)-3,4-bis[[1-hydroxy-4-(trifluoromethyl)-...)
Show SMILES OB1OCc2c1cc(cc2C(F)(F)F)C(=O)N[C@@H]1CN(C[C@H]1NC(=O)c1cc2B(O)OCc2c(c1)C(F)(F)F)C(=O)CCC(O)=O |r|
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UniProtKB/SwissProt

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UniChem
n/an/an/a 2.30E+6n/an/an/an/an/a


TBA



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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620532
PNG
((3-Borono-5-((3-boronophenyl)sulfonyl)benzoyl)glyc...)
Show SMILES OB(O)c1cccc(c1)S(=O)(=O)c1cc(cc(c1)C(=O)NCC(O)=O)B(O)O
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n/an/an/a 2.40E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620515
PNG
(4-((3S,4S)-3,4-Bis(7-fluoro-1-hydroxy-1,3-dihydrob...)
Show SMILES OB1OCc2ccc(C(=O)N[C@H]3CN(C[C@@H]3NC(=O)c3ccc4COB(O)c4c3F)C(=O)CCC(O)=O)c(F)c12 |r|
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n/an/an/a 2.60E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620503
PNG
(N-(6-Fluoro-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxab...)
Show SMILES OB1OCc2cc(C(=O)NCCN(CC(O)=O)C(=O)c3cc4COB(O)c4cc3F)c(F)cc12
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n/an/an/a 2.60E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620498
PNG
((S)-2,4-bis(4-borono-3-fluorobenzamido)butanoic ac...)
Show SMILES OB(O)c1ccc(cc1F)C(=O)NCC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(O)=O |r|
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n/an/an/a 2.60E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620497
PNG
(N,N′-bis(4-borono-3-fluorobenzamido)-N-ethyl...)
Show SMILES NC(=O)CN(CCNC(=O)c1ccc(B(O)O)c(F)c1)C(=O)c1ccc(B(O)O)c(F)c1
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n/an/an/a 2.70E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620502
PNG
(N-(4-Fluoro-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxab...)
Show SMILES OB1OCc2c1cc(cc2F)C(=O)NCCN(CC(O)=O)C(=O)c1cc2B(O)OCc2c(F)c1
PDB

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n/an/an/a 2.70E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620495
PNG
(3,5-Bis((4-borono-2-fluorobenzamido)methyl)benzoic...)
Show SMILES OB(O)c1ccc(C(=O)NCc2cc(CNC(=O)c3ccc(cc3F)B(O)O)cc(c2)C(O)=O)c(F)c1
PDB

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n/an/an/a 3.10E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620508
PNG
(N6-(4-Borono-2-fluorobenzoyl)-N2-(6-fluoro-1-hydro...)
Show SMILES OB(O)c1ccc(C(=O)NCCCC[C@H](NC(=O)c2cc3COB(O)c3cc2F)C(O)=O)c(F)c1 |r|
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n/an/an/a 3.20E+6n/an/an/an/an/a


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More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620504
PNG
(N2,N6-Bis(6-fluoro-1-hydroxy-1,3-dihydrobenzo[c][1...)
Show SMILES OB1OCc2cc(C(=O)NCCCC[C@H](NC(=O)c3cc4COB(O)c4cc3F)C(O)=O)c(F)cc12 |r|
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n/an/an/a 3.20E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620525
PNG
(N-(4-Chloro-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxab...)
Show SMILES OB1OCc2c1cc(cc2Cl)C(=O)N(CCNC(=O)c1cc2BOCc2c(Cl)c1)CC(O)=O
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n/an/an/a 3.20E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620496
PNG
(3,5-Bis((4-borono-3-fluorobenzamido)methyl)benzoic...)
Show SMILES OB(O)c1ccc(cc1F)C(=O)NCc1cc(CNC(=O)c2ccc(B(O)O)c(F)c2)cc(c1)C(O)=O
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n/an/an/a 3.40E+6n/an/an/an/an/a


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Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM620531
PNG
(2-((Bis(1-hydroxy-4-(trifluoromethyl)-1,3-dihydrob...)
Show SMILES OB1OCc2c1cc(cc2C(F)(F)F)S(=O)(=NCC(O)=O)c1cc2B(O)OCc2c(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/a 3.70E+6n/an/an/an/an/a


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Ligand-Target Pair
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