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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 = 'BDBM50240821'   
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))		BDBM50240821
PNG
(CHEMBL4100575)
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)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C172H247F2N43O54/c1-17-88(10)140(167(264)195-92(14)146(243)203-121(68-99-72-186-108-35-25-24-34-104(99)108)157(254)205-117(63-85(4)5)158(255)214-138(86(6)7)165(262)202-110(38-29-57-185-172(179)180)149(246)187-74-128(225)196-109(37-28-56-184-171(177)178)148(245)190-77-137(238)239)216-159(256)119(64-95-30-20-18-21-31-95)206-154(251)115(49-54-135(234)235)201-153(250)111(36-26-27-55-182-131(228)81-270-61-60-269-59-58-183-132(229)82-271-126-50-41-98(67-105(126)170(267)268)103-45-42-100(173)69-106(103)174)198-144(241)90(12)192-143(240)89(11)194-152(249)114(46-51-127(176)224)197-129(226)75-188-151(248)113(48-53-134(232)233)200-155(252)116(62-84(2)3)204-156(253)118(66-97-39-43-102(223)44-40-97)207-162(259)123(78-218)210-164(261)125(80-220)211-166(263)139(87(8)9)215-161(258)122(71-136(236)237)208-163(260)124(79-219)212-169(266)142(94(16)222)217-160(257)120(65-96-32-22-19-23-33-96)209-168(265)141(93(15)221)213-130(227)76-189-150(247)112(47-52-133(230)231)199-145(242)91(13)193-147(244)107(175)70-101-73-181-83-191-101/h18-25,30-35,39-45,50,67,69,72-73,83-94,107,109-125,138-142,186,218-223H,17,26-29,36-38,46-49,51-66,68,70-71,74-82,175H2,1-16H3,(H2,176,224)(H,181,191)(H,182,228)(H,183,229)(H,187,246)(H,188,248)(H,189,247)(H,190,245)(H,192,240)(H,193,244)(H,194,249)(H,195,264)(H,196,225)(H,197,226)(H,198,241)(H,199,242)(H,200,252)(H,201,250)(H,202,262)(H,203,243)(H,204,253)(H,205,254)(H,206,251)(H,207,259)(H,208,260)(H,209,265)(H,210,261)(H,211,263)(H,212,266)(H,213,227)(H,214,255)(H,215,258)(H,216,256)(H,217,257)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,267,268)(H4,177,178,184)(H4,179,180,185)/t88-,89-,90-,91-,92-,93+,94+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,138-,139-,140-,141-,142-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 0.221n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...

J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair