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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 = 'BDBM50275598'   
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))		BDBM50275598
PNG
(CHEMBL4126027)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[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(N)=O)NC(=O)C(C)(C)NC(=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](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)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)NC(C)(C)C(=O)N[C@@H](C)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)C(O)=O |r|
Show InChI InChI=1S/C206H325N53O61/c1-19-21-22-23-24-25-26-27-28-29-30-31-32-39-67-156(271)228-134(201(317)318)71-77-155(270)217-82-47-44-61-127(230-178(294)130(69-75-153(211)268)233-175(291)126(60-43-46-81-208)232-189(305)145(105-262)247-183(299)136(89-110(5)6)238-186(302)142(96-164(282)283)243-190(306)147(107-264)249-197(313)167(117(14)266)253-188(304)139(92-119-55-37-34-38-56-119)244-196(312)166(116(13)265)251-159(274)101-222-172(288)129(68-74-152(210)267)250-203(320)206(17,18)254-171(287)123(209)94-121-98-216-108-224-121)177(293)242-141(95-163(280)281)185(301)235-132(72-78-161(276)277)180(296)234-131(70-76-154(212)269)179(295)231-128(62-48-83-218-204(214)215)174(290)226-114(11)170(286)229-125(59-42-45-80-207)176(292)237-135(88-109(3)4)182(298)240-138(91-118-53-35-33-36-54-118)187(303)252-165(112(9)20-2)195(311)236-133(73-79-162(278)279)181(297)241-140(93-120-97-219-124-58-41-40-57-122(120)124)184(300)239-137(90-111(7)8)192(308)255-205(15,16)202(319)227-113(10)169(285)221-99-157(272)220-102-160(275)256-84-49-63-148(256)193(309)248-146(106-263)191(307)246-144(104-261)173(289)223-100-158(273)225-115(12)198(314)258-86-51-65-150(258)200(316)259-87-52-66-151(259)199(315)257-85-50-64-149(257)194(310)245-143(103-260)168(213)284/h33-38,40-41,53-58,97-98,108-117,123,125-151,165-167,219,260-266H,19-32,39,42-52,59-96,99-107,207-209H2,1-18H3,(H2,210,267)(H2,211,268)(H2,212,269)(H2,213,284)(H,216,224)(H,217,270)(H,220,272)(H,221,285)(H,222,288)(H,223,289)(H,225,273)(H,226,290)(H,227,319)(H,228,271)(H,229,286)(H,230,294)(H,231,295)(H,232,305)(H,233,291)(H,234,296)(H,235,301)(H,236,311)(H,237,292)(H,238,302)(H,239,300)(H,240,298)(H,241,297)(H,242,293)(H,243,306)(H,244,312)(H,245,310)(H,246,307)(H,247,299)(H,248,309)(H,249,313)(H,250,320)(H,251,274)(H,252,303)(H,253,304)(H,254,287)(H,255,308)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,317,318)(H4,214,215,218)/t112-,113-,114-,115-,116+,117+,123-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,165-,166-,167-/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 0.00640n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair