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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50275593'   
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 receptor


(Homo sapiens (Human))		BDBM50275593
PNG
(CHEMBL4126812)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=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)N[C@@H]([C@@H](C)CC)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)C(O)=O |r|
Show InChI InChI=1S/C213H336N54O64/c1-19-22-23-24-25-26-27-28-29-30-31-32-33-40-68-161(279)235-139(210(329)330)73-80-162(280)236-138(209(327)328)72-79-160(278)224-85-48-45-62-131(238-185(303)134(70-77-158(218)276)241-182(300)130(61-44-47-84-215)240-197(315)150(108-270)255-190(308)141(92-113(6)7)246-193(311)147(99-170(291)292)251-198(316)152(110-272)257-205(323)174(121(16)274)262-196(314)144(95-123-56-38-35-39-57-123)252-204(322)173(120(15)273)259-165(283)104-229-179(297)133(69-76-157(217)275)258-211(331)213(17,18)263-178(296)127(216)97-125-101-223-111-231-125)184(302)250-146(98-169(289)290)192(310)243-136(74-81-167(285)286)187(305)242-135(71-78-159(219)277)186(304)239-132(63-49-86-225-212(221)222)181(299)233-118(13)177(295)237-129(60-43-46-83-214)183(301)245-140(91-112(4)5)189(307)248-143(94-122-54-36-34-37-55-122)195(313)261-172(116(11)21-3)203(321)244-137(75-82-168(287)288)188(306)249-145(96-124-100-226-128-59-42-41-58-126(124)128)191(309)247-142(93-114(8)9)194(312)260-171(115(10)20-2)202(320)234-117(12)176(294)228-102-163(281)227-105-166(284)264-87-50-64-153(264)200(318)256-151(109-271)199(317)254-149(107-269)180(298)230-103-164(282)232-119(14)206(324)266-89-52-66-155(266)208(326)267-90-53-67-156(267)207(325)265-88-51-65-154(265)201(319)253-148(106-268)175(220)293/h34-39,41-42,54-59,100-101,111-121,127,129-156,171-174,226,268-274H,19-33,40,43-53,60-99,102-110,214-216H2,1-18H3,(H2,217,275)(H2,218,276)(H2,219,277)(H2,220,293)(H,223,231)(H,224,278)(H,227,281)(H,228,294)(H,229,297)(H,230,298)(H,232,282)(H,233,299)(H,234,320)(H,235,279)(H,236,280)(H,237,295)(H,238,303)(H,239,304)(H,240,315)(H,241,300)(H,242,305)(H,243,310)(H,244,321)(H,245,301)(H,246,311)(H,247,309)(H,248,307)(H,249,306)(H,250,302)(H,251,316)(H,252,322)(H,253,319)(H,254,317)(H,255,308)(H,256,318)(H,257,323)(H,258,331)(H,259,283)(H,260,312)(H,261,313)(H,262,314)(H,263,296)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,327,328)(H,329,330)(H4,221,222,225)/t115-,116-,117-,118-,119-,120+,121+,127-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,171-,172-,173-,174-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.00250n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human glucagon receptor 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