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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 = 'BDBM50495416'   
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))		BDBM50495416
PNG
(CHEMBL3110319)
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)CNC(=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)N[C@@H](CSC1CC(=O)N(CCCCCC(=O)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)C1=O)C(N)=O |r|
Show InChI InChI=1S/C186H257N43O55S/c1-16-95(10)151(180(277)204-98(13)159(256)213-126(76-105-80-196-113-44-28-25-41-109(105)113)170(267)215-122(72-92(4)5)171(268)225-149(93(6)7)178(275)212-114(45-31-33-67-187)161(258)198-83-138(239)206-115(47-36-69-195-186(192)193)165(262)223-131(156(191)253)89-285-134-79-141(242)229(183(134)280)70-35-19-24-50-136(237)205-106-55-53-104(54-56-106)146(147-154(251)110-42-26-29-48-132(110)283-184(147)281)148-155(252)111-43-27-30-49-133(111)284-185(148)282)227-172(269)124(73-101-37-20-17-21-38-101)216-167(264)120(62-66-144(247)248)211-166(263)116(46-32-34-68-188)209-158(255)97(12)202-157(254)96(11)203-164(261)119(59-63-135(190)236)208-139(240)84-199-163(260)118(61-65-143(245)246)210-168(265)121(71-91(2)3)214-169(266)123(75-103-51-57-108(235)58-52-103)217-175(272)128(86-230)220-177(274)130(88-232)221-179(276)150(94(8)9)226-174(271)127(78-145(249)250)218-176(273)129(87-231)222-182(279)153(100(15)234)228-173(270)125(74-102-39-22-18-23-40-102)219-181(278)152(99(14)233)224-140(241)85-200-162(259)117(60-64-142(243)244)207-137(238)82-197-160(257)112(189)77-107-81-194-90-201-107/h17-18,20-23,25-30,37-44,48-49,51-58,80-81,90-100,112,114-131,134,146,149-153,196,230-235,251-252H,16,19,24,31-36,45-47,50,59-79,82-89,187-189H2,1-15H3,(H2,190,236)(H2,191,253)(H,194,201)(H,197,257)(H,198,258)(H,199,260)(H,200,259)(H,202,254)(H,203,261)(H,204,277)(H,205,237)(H,206,239)(H,207,238)(H,208,240)(H,209,255)(H,210,265)(H,211,263)(H,212,275)(H,213,256)(H,214,266)(H,215,267)(H,216,264)(H,217,272)(H,218,273)(H,219,278)(H,220,274)(H,221,276)(H,222,279)(H,223,262)(H,224,241)(H,225,268)(H,226,271)(H,227,269)(H,228,270)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,192,193,195)/t95-,96-,97-,98-,99+,100+,112-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,134?,149-,150-,151-,152-,153-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.00300n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Activation of human GLP-1 receptor overexpressed in HEK293 cells assessed as cAMP accumulation after 20 mins by HTRF assay

J Med Chem 56: 9955-68 (2013)


Article DOI: 10.1021/jm4017448
BindingDB Entry DOI: 10.7270/Q2H41VDR
More data for this
Ligand-Target Pair