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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 = 'BDBM50266672'   
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))		BDBM50266672
PNG
(CHEMBL4100420)
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(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](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)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/C194H305N57O60S2/c1-18-98(10)152(185(305)231-121(56-62-149(272)273)169(289)236-129(80-106-85-212-110-42-26-25-41-108(106)110)175(295)233-124(75-94(2)3)172(292)228-123(64-74-313-17)171(291)238-131(83-141(200)260)180(300)248-154(102(14)256)187(307)230-113(44-28-30-66-196)163(283)221-114(46-32-68-210-193(204)205)164(284)237-130(82-140(199)259)176(296)220-111(45-31-67-209-192(202)203)159(279)214-87-142(261)217-100(12)189(309)250-71-35-49-137(250)191(311)251-72-36-50-138(251)190(310)249-70-34-48-136(249)183(303)241-133(90-252)156(201)276)246-178(298)127(78-104-37-21-19-22-38-104)235-173(293)125(76-95(4)5)232-165(285)115(47-33-69-211-194(206)207)229-184(304)151(97(8)9)245-157(277)99(11)218-161(281)118(53-59-146(266)267)224-167(287)119(54-60-147(268)269)225-168(288)120(55-61-148(270)271)226-170(290)122(63-73-312-16)227-166(286)117(51-57-139(198)258)223-162(282)112(43-27-29-65-195)222-181(301)134(91-253)242-174(294)126(77-96(6)7)234-177(297)132(84-150(274)275)239-182(302)135(92-254)243-188(308)155(103(15)257)247-179(299)128(79-105-39-23-20-24-40-105)240-186(306)153(101(13)255)244-144(263)89-215-160(280)116(52-58-145(264)265)219-143(262)88-213-158(278)109(197)81-107-86-208-93-216-107/h19-26,37-42,85-86,93-103,109,111-138,151-155,212,252-257H,18,27-36,43-84,87-92,195-197H2,1-17H3,(H2,198,258)(H2,199,259)(H2,200,260)(H2,201,276)(H,208,216)(H,213,278)(H,214,279)(H,215,280)(H,217,261)(H,218,281)(H,219,262)(H,220,296)(H,221,283)(H,222,301)(H,223,282)(H,224,287)(H,225,288)(H,226,290)(H,227,286)(H,228,292)(H,229,304)(H,230,307)(H,231,305)(H,232,285)(H,233,295)(H,234,297)(H,235,293)(H,236,289)(H,237,284)(H,238,291)(H,239,302)(H,240,306)(H,241,303)(H,242,294)(H,243,308)(H,244,263)(H,245,277)(H,246,298)(H,247,299)(H,248,300)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H4,202,203,209)(H4,204,205,210)(H4,206,207,211)/t98-,99-,100-,101+,102+,103+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,151-,152-,153-,154-,155-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
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Similars
Article
PubMed
n/an/an/an/a 0.00120n/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