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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50266676'   
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))		BDBM50266676
PNG
(CHEMBL4074468)
Show SMILES CSCC[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(O)=O)NC(=O)CNC(=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](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=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/C179H275N55O59S/c1-86(2)62-109(158(274)207-101(37-21-23-54-181)153(269)217-114(68-131(186)246)148(264)198-74-132(247)196-78-136(251)231-57-26-40-124(231)170(286)226-122(83-239)169(285)223-119(80-236)149(265)200-75-133(248)202-90(8)175(291)233-59-28-42-126(233)177(293)234-60-29-43-127(234)176(292)232-58-27-41-125(232)171(287)222-118(79-235)144(187)260)213-160(276)113(66-95-72-195-99-35-19-18-34-97(95)99)216-156(272)107(46-50-130(185)245)212-172(288)141(88(5)6)229-164(280)111(64-93-30-14-12-15-31-93)215-162(278)115(69-138(254)255)218-155(271)105(44-48-128(183)243)205-145(261)89(7)203-150(266)102(38-24-55-193-178(188)189)206-152(268)103(39-25-56-194-179(190)191)209-167(283)121(82-238)225-163(279)117(71-140(258)259)219-157(273)108(52-61-294-11)211-154(270)106(45-49-129(184)244)210-151(267)100(36-20-22-53-180)208-166(282)120(81-237)224-159(275)110(63-87(3)4)214-161(277)116(70-139(256)257)220-168(284)123(84-240)227-174(290)143(92(10)242)230-165(281)112(65-94-32-16-13-17-33-94)221-173(289)142(91(9)241)228-135(250)77-199-147(263)104(47-51-137(252)253)204-134(249)76-197-146(262)98(182)67-96-73-192-85-201-96/h12-19,30-35,72-73,85-92,98,100-127,141-143,195,235-242H,20-29,36-71,74-84,180-182H2,1-11H3,(H2,183,243)(H2,184,244)(H2,185,245)(H2,186,246)(H2,187,260)(H,192,201)(H,196,247)(H,197,262)(H,198,264)(H,199,263)(H,200,265)(H,202,248)(H,203,266)(H,204,249)(H,205,261)(H,206,268)(H,207,274)(H,208,282)(H,209,283)(H,210,267)(H,211,270)(H,212,288)(H,213,276)(H,214,277)(H,215,278)(H,216,272)(H,217,269)(H,218,271)(H,219,273)(H,220,284)(H,221,289)(H,222,287)(H,223,285)(H,224,275)(H,225,279)(H,226,286)(H,227,290)(H,228,250)(H,229,280)(H,230,281)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,188,189,193)(H4,190,191,194)/t89-,90-,91+,92+,98-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,141-,142-,143-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 4.20E+4n/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 60: 4293-4303 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00174
BindingDB Entry DOI: 10.7270/Q27S7R7M
More data for this
Ligand-Target Pair