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BDBM50231965 CHEMBL4083864

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)[C@@H]1CCC(=O)NCCCC[C@H](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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

InChI Key: InChIKey=GNJNBXVAJANKCV-CJMJYQPKSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231965   
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))		BDBM50231965
PNG
(CHEMBL4083864)
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)[C@@H]1CCC(=O)NCCCC[C@H](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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C158H236N42O47/c1-16-81(10)127(155(245)185-99-40-27-30-58-167-118(209)67-111(136(226)172-72-119(210)177-96(41-31-59-168-158(163)164)134(224)170-71-116(162)207)193-153(243)125(79(6)7)197-147(237)106(61-78(4)5)187-146(236)110(190-140(99)230)65-90-69-169-95-37-24-23-36-93(90)95)199-148(238)108(62-87-32-19-17-20-33-87)189-143(233)104(50-55-123(216)217)183-138(228)97(38-25-28-56-159)178-131(221)83(12)174-130(220)82(11)176-137(227)101(46-51-115(161)206)181-141(231)102-47-52-117(208)166-57-29-26-39-98(139(229)188-107(64-89-42-44-92(205)45-43-89)145(235)186-105(60-77(2)3)144(234)184-103(142(232)182-102)49-54-122(214)215)180-151(241)113(74-201)194-154(244)126(80(8)9)198-150(240)112(68-124(218)219)191-152(242)114(75-202)195-157(247)129(86(15)204)200-149(239)109(63-88-34-21-18-22-35-88)192-156(246)128(85(14)203)196-120(211)73-171-135(225)100(48-53-121(212)213)179-132(222)84(13)175-133(223)94(160)66-91-70-165-76-173-91/h17-24,32-37,42-45,69-70,76-86,94,96-114,125-129,169,201-205H,16,25-31,38-41,46-68,71-75,159-160H2,1-15H3,(H2,161,206)(H2,162,207)(H,165,173)(H,166,208)(H,167,209)(H,170,224)(H,171,225)(H,172,226)(H,174,220)(H,175,223)(H,176,227)(H,177,210)(H,178,221)(H,179,222)(H,180,241)(H,181,231)(H,182,232)(H,183,228)(H,184,234)(H,185,245)(H,186,235)(H,187,236)(H,188,229)(H,189,233)(H,190,230)(H,191,242)(H,192,246)(H,193,243)(H,194,244)(H,195,247)(H,196,211)(H,197,237)(H,198,240)(H,199,238)(H,200,239)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,163,164,168)/t81-,82-,83-,84-,85+,86+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/an/an/a 0.0500n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay

Eur J Med Chem 127: 703-714 (2017)


BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair