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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 = 'BDBM50266673'   
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))		BDBM50266673
PNG
(CHEMBL4076828)
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](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(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(N)=O)NC(=O)[C@H](CO)NC(=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/C185H285N51O60S/c1-16-94(10)147(179(291)214-114(52-58-144(258)259)163(275)219-121(73-101-77-197-105-39-24-23-38-103(101)105)168(280)216-116(68-90(2)3)165(277)205-107(41-26-28-61-187)158(270)220-122(75-136(191)247)154(266)199-79-137(248)198-82-140(251)233-63-30-43-130(233)176(288)227-128(87-241)175(287)225-125(84-238)155(267)201-80-138(249)203-96(12)182(294)235-65-32-45-132(235)184(296)236-66-33-46-133(236)183(295)234-64-31-44-131(234)177(289)223-124(83-237)150(192)262)231-170(282)119(71-99-34-19-17-20-35-99)218-166(278)117(69-91(4)5)215-159(271)108(42-29-62-196-185(193)194)213-178(290)146(93(8)9)230-151(263)95(11)204-156(268)111(49-55-141(252)253)209-161(273)112(50-56-142(254)255)210-162(274)113(51-57-143(256)257)211-164(276)115(59-67-297-15)212-160(272)110(48-54-135(190)246)208-157(269)106(40-25-27-60-186)206-173(285)127(86-240)226-167(279)118(70-92(6)7)217-169(281)123(76-145(260)261)221-174(286)129(88-242)228-181(293)149(98(14)244)232-171(283)120(72-100-36-21-18-22-37-100)222-180(292)148(97(13)243)229-139(250)81-200-153(265)109(47-53-134(189)245)207-172(284)126(85-239)224-152(264)104(188)74-102-78-195-89-202-102/h17-24,34-39,77-78,89-98,104,106-133,146-149,197,237-244H,16,25-33,40-76,79-88,186-188H2,1-15H3,(H2,189,245)(H2,190,246)(H2,191,247)(H2,192,262)(H,195,202)(H,198,248)(H,199,266)(H,200,265)(H,201,267)(H,203,249)(H,204,268)(H,205,277)(H,206,285)(H,207,284)(H,208,269)(H,209,273)(H,210,274)(H,211,276)(H,212,272)(H,213,290)(H,214,291)(H,215,271)(H,216,280)(H,217,281)(H,218,278)(H,219,275)(H,220,270)(H,221,286)(H,222,292)(H,223,289)(H,224,264)(H,225,287)(H,226,279)(H,227,288)(H,228,293)(H,229,250)(H,230,263)(H,231,282)(H,232,283)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H4,193,194,196)/t94-,95-,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-,146-,147-,148-,149-/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 0.000700n/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