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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 = 'BDBM50266671'   
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))		BDBM50266671
PNG
(CHEMBL4101203)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C179H274N54O60S/c1-86(2)62-109(158(274)206-101(37-21-23-54-181)153(269)216-114(68-130(185)244)148(264)197-74-131(245)195-78-135(249)230-57-26-40-124(230)170(286)225-122(83-238)169(285)222-119(80-235)149(265)199-75-132(246)201-90(8)175(291)232-59-28-42-126(232)177(293)233-60-29-43-127(233)176(292)231-58-27-41-125(231)171(287)221-118(79-234)144(186)260)212-160(276)113(66-95-72-194-99-35-19-18-34-97(95)99)215-156(272)107(47-51-137(252)253)211-172(288)141(88(5)6)228-164(280)111(64-93-30-14-12-15-31-93)214-162(278)115(69-138(254)255)217-155(271)105(44-48-128(183)242)204-145(261)89(7)202-150(266)102(38-24-55-192-178(187)188)205-152(268)103(39-25-56-193-179(189)190)208-167(283)121(82-237)224-163(279)117(71-140(258)259)218-157(273)108(52-61-294-11)210-154(270)106(45-49-129(184)243)209-151(267)100(36-20-22-53-180)207-166(282)120(81-236)223-159(275)110(63-87(3)4)213-161(277)116(70-139(256)257)219-168(284)123(84-239)226-174(290)143(92(10)241)229-165(281)112(65-94-32-16-13-17-33-94)220-173(289)142(91(9)240)227-134(248)77-198-147(263)104(46-50-136(250)251)203-133(247)76-196-146(262)98(182)67-96-73-191-85-200-96/h12-19,30-35,72-73,85-92,98,100-127,141-143,194,234-241H,20-29,36-71,74-84,180-182H2,1-11H3,(H2,183,242)(H2,184,243)(H2,185,244)(H2,186,260)(H,191,200)(H,195,245)(H,196,262)(H,197,264)(H,198,263)(H,199,265)(H,201,246)(H,202,266)(H,203,247)(H,204,261)(H,205,268)(H,206,274)(H,207,282)(H,208,283)(H,209,267)(H,210,270)(H,211,288)(H,212,276)(H,213,277)(H,214,278)(H,215,272)(H,216,269)(H,217,271)(H,218,273)(H,219,284)(H,220,289)(H,221,287)(H,222,285)(H,223,275)(H,224,279)(H,225,286)(H,226,290)(H,227,248)(H,228,280)(H,229,281)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,187,188,192)(H4,189,190,193)/t89-,90-,91+,92+,98-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,141-,142-,143-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
Article
PubMed
n/an/an/an/a 0.0220n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 60: 4293-4303 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00174
BindingDB Entry DOI: 10.7270/Q27S7R7M
More data for this
Ligand-Target Pair