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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50407842'   
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


(Rattus norvegicus)
BDBM50407842
PNG
(CHEMBL2114176)
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](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[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(N)=O
Show InChI InChI=1S/C153H223N41O46S/c1-75(2)58-100(136(225)177-99(53-57-241-10)135(224)186-108(66-117(159)206)146(235)193-123(79(8)199)125(160)214)180-141(230)107(65-86-69-167-91-33-21-20-32-89(86)91)185-133(222)97(47-51-116(158)205)178-150(239)122(77(5)6)192-144(233)105(61-82-28-16-12-17-29-82)184-142(231)109(67-120(210)211)187-132(221)96(46-50-115(157)204)171-126(215)78(7)169-129(218)93(35-24-55-165-152(161)162)173-130(219)94(36-25-56-166-153(163)164)175-148(237)112(73-197)190-143(232)110(68-121(212)213)188-137(226)101(59-76(3)4)179-139(228)104(64-85-39-43-88(202)44-40-85)181-131(220)92(34-22-23-54-154)174-147(236)111(72-196)189-140(229)103(60-81-26-14-11-15-27-81)182-134(223)98(48-52-119(208)209)176-149(238)113(74-198)191-151(240)124(80(9)200)194-145(234)106(62-83-30-18-13-19-31-83)183-138(227)102(63-84-37-41-87(201)42-38-84)170-118(207)70-168-128(217)95(45-49-114(156)203)172-127(216)90(155)71-195/h11-21,26-33,37-44,69,75-80,90,92-113,122-124,167,195-202H,22-25,34-36,45-68,70-74,154-155H2,1-10H3,(H2,156,203)(H2,157,204)(H2,158,205)(H2,159,206)(H2,160,214)(H,168,217)(H,169,218)(H,170,207)(H,171,215)(H,172,216)(H,173,219)(H,174,236)(H,175,237)(H,176,238)(H,177,225)(H,178,239)(H,179,228)(H,180,230)(H,181,220)(H,182,223)(H,183,227)(H,184,231)(H,185,222)(H,186,224)(H,187,221)(H,188,226)(H,189,229)(H,190,232)(H,191,240)(H,192,233)(H,193,235)(H,194,234)(H,208,209)(H,210,211)(H,212,213)(H4,161,162,165)(H4,163,164,166)/t78-,79+,80+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]glucagon binding towards Glucagon receptor


J Med Chem 39: 2449-55 (1996)


Article DOI: 10.1021/jm960130b
BindingDB Entry DOI: 10.7270/Q2JH3MT3
More data for this
Ligand-Target Pair