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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 = 'BDBM50266669'   
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))		BDBM50266669
PNG
(CHEMBL4093458)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)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(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/C185H290N56O57S/c1-15-95(10)146(177(293)218-113(52-55-142(259)260)159(275)223-120(72-101-77-202-105-40-23-22-39-103(101)105)165(281)220-115(67-91(2)3)162(278)212-107(42-25-27-58-187)156(272)224-121(74-135(190)251)152(268)205-79-136(252)203-83-140(256)238-62-31-46-130(238)174(290)232-128(88-246)173(289)229-125(85-243)153(269)207-80-137(253)209-96(11)180(296)240-64-33-48-132(240)182(298)241-65-34-49-133(241)181(297)239-63-32-47-131(239)175(291)228-124(84-242)149(191)265)236-168(284)118(70-99-35-18-16-19-36-99)222-163(279)116(68-92(4)5)219-157(273)109(44-29-60-200-184(194)195)217-176(292)145(94(8)9)235-161(277)110(45-30-61-201-185(196)197)211-155(271)108(43-28-59-199-183(192)193)214-171(287)127(87-245)231-167(283)123(76-144(263)264)225-160(276)114(56-66-299-14)216-158(274)112(50-53-134(189)250)215-154(270)106(41-24-26-57-186)213-170(286)126(86-244)230-164(280)117(69-93(6)7)221-166(282)122(75-143(261)262)226-172(288)129(89-247)233-179(295)148(98(13)249)237-169(285)119(71-100-37-20-17-21-38-100)227-178(294)147(97(12)248)234-139(255)82-206-151(267)111(51-54-141(257)258)210-138(254)81-204-150(266)104(188)73-102-78-198-90-208-102/h16-23,35-40,77-78,90-98,104,106-133,145-148,202,242-249H,15,24-34,41-76,79-89,186-188H2,1-14H3,(H2,189,250)(H2,190,251)(H2,191,265)(H,198,208)(H,203,252)(H,204,266)(H,205,268)(H,206,267)(H,207,269)(H,209,253)(H,210,254)(H,211,271)(H,212,278)(H,213,286)(H,214,287)(H,215,270)(H,216,274)(H,217,292)(H,218,293)(H,219,273)(H,220,281)(H,221,282)(H,222,279)(H,223,275)(H,224,272)(H,225,276)(H,226,288)(H,227,294)(H,228,291)(H,229,289)(H,230,280)(H,231,283)(H,232,290)(H,233,295)(H,234,255)(H,235,277)(H,236,284)(H,237,285)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H4,192,193,199)(H4,194,195,200)(H4,196,197,201)/t95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,145-,146-,147-,148-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 0.00180n/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