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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50266695'   
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))		BDBM50266695
PNG
(CHEMBL4098991)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)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](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=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/C189H280N54O61S/c1-90(2)65-116(163(280)216-115(56-64-305-12)162(279)224-123(73-141(195)259)173(290)238-149(95(9)251)181(298)207-81-144(262)240-60-25-38-134(240)179(296)234-132(87-249)178(295)231-128(83-245)156(273)206-79-142(260)209-94(8)185(302)242-62-27-40-136(242)187(304)243-63-28-41-137(243)186(303)241-61-26-39-135(241)180(297)229-127(82-244)152(196)269)219-167(284)122(71-102-77-204-108-34-20-19-33-106(102)108)223-161(278)114(52-55-140(194)258)217-182(299)148(92(5)6)237-171(288)120(67-98-29-15-13-16-30-98)222-168(285)124(74-145(263)264)225-160(277)113(51-54-139(193)257)211-153(270)93(7)210-157(274)110(36-23-58-202-188(197)198)212-158(275)111(37-24-59-203-189(199)200)214-176(293)131(86-248)233-170(287)126(76-147(267)268)226-164(281)117(66-91(3)4)218-165(282)118(69-100-42-46-104(254)47-43-100)220-159(276)109(35-21-22-57-190)213-175(292)130(85-247)232-166(283)119(70-101-44-48-105(255)49-45-101)221-169(286)125(75-146(265)266)227-177(294)133(88-250)235-184(301)151(97(11)253)239-172(289)121(68-99-31-17-14-18-32-99)228-183(300)150(96(10)252)236-143(261)80-205-155(272)112(50-53-138(192)256)215-174(291)129(84-246)230-154(271)107(191)72-103-78-201-89-208-103/h13-20,29-34,42-49,77-78,89-97,107,109-137,148-151,204,244-255H,21-28,35-41,50-76,79-88,190-191H2,1-12H3,(H2,192,256)(H2,193,257)(H2,194,258)(H2,195,259)(H2,196,269)(H,201,208)(H,205,272)(H,206,273)(H,207,298)(H,209,260)(H,210,274)(H,211,270)(H,212,275)(H,213,292)(H,214,293)(H,215,291)(H,216,280)(H,217,299)(H,218,282)(H,219,284)(H,220,276)(H,221,286)(H,222,285)(H,223,278)(H,224,279)(H,225,277)(H,226,281)(H,227,294)(H,228,300)(H,229,297)(H,230,271)(H,231,295)(H,232,283)(H,233,287)(H,234,296)(H,235,301)(H,236,261)(H,237,288)(H,238,290)(H,239,289)(H,263,264)(H,265,266)(H,267,268)(H4,197,198,202)(H4,199,200,203)/t93-,94-,95+,96+,97+,107-,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-,134-,135-,136-,137-,148-,149-,150-,151-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.120n/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 5 hrs by luciferase reporter gene 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