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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50183896'   
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 1 receptor


(Homo sapiens (Human))
BDBM50183896
PNG
(CHEMBL3824136)
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)CNC(=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(N)=O |r|
Show InChI InChI=1S/C160H248N44O51S/c1-21-76(11)123(154(250)184-94(44-46-112(163)210)139(235)203-128(83(18)208)158(254)183-92(42-33-34-49-161)138(234)198-126(79(14)24-4)157(253)202-127(82(17)207)130(167)226)199-149(245)99(54-75(9)10)186-143(239)102(57-87-66-172-91-41-32-31-40-89(87)91)189-145(241)104(60-114(165)212)196-155(251)124(77(12)22-2)200-150(246)101(56-86-38-29-26-30-39-86)187-147(243)108(64-121(222)223)192-135(231)93(43-35-50-171-160(168)169)180-132(228)81(16)176-131(227)80(15)177-140(236)97(52-73(5)6)185-144(240)103(59-113(164)211)191-148(244)109(65-122(224)225)193-141(237)98(53-74(7)8)195-156(252)125(78(13)23-3)201-159(255)129(84(19)209)204-151(247)105(61-115(166)213)190-137(233)96(48-51-256-20)182-136(232)95(45-47-118(216)217)181-146(242)107(63-120(220)221)194-153(249)111(71-206)197-142(238)100(55-85-36-27-25-28-37-85)188-152(248)110(70-205)179-117(215)69-174-134(230)106(62-119(218)219)178-116(214)68-173-133(229)90(162)58-88-67-170-72-175-88/h25-32,36-41,66-67,72-84,90,92-111,123-129,172,205-209H,21-24,33-35,42-65,68-71,161-162H2,1-20H3,(H2,163,210)(H2,164,211)(H2,165,212)(H2,166,213)(H2,167,226)(H,170,175)(H,173,229)(H,174,230)(H,176,227)(H,177,236)(H,178,214)(H,179,215)(H,180,228)(H,181,242)(H,182,232)(H,183,254)(H,184,250)(H,185,240)(H,186,239)(H,187,243)(H,188,248)(H,189,241)(H,190,233)(H,191,244)(H,192,231)(H,193,237)(H,194,249)(H,195,252)(H,196,251)(H,197,238)(H,198,234)(H,199,245)(H,200,246)(H,201,255)(H,202,253)(H,203,235)(H,204,247)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H4,168,169,171)/t76-,77-,78-,79-,80-,81-,82+,83+,84+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,123-,124-,125-,126-,127-,128-,129-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay


J Med Chem 59: 3129-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01909
BindingDB Entry DOI: 10.7270/Q23R0VT7
More data for this
Ligand-Target Pair