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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50104044'   
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)		BDBM50104044
PNG
(CHEMBL409654 | His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp...)
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](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)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)Cc1c[nH]cn1)[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)=O
Show InChI InChI=1S/C150H219N43O49S3/c1-70(2)49-93(129(222)172-92(44-48-245-8)128(221)179-99(56-112(156)206)138(231)193-120(74(7)200)148(241)242)174-132(225)98(54-79-60-164-85-26-16-15-25-83(79)85)178-127(220)91(40-43-111(155)205)173-145(238)117(71(3)4)191-136(229)96(50-75-21-11-9-12-22-75)177-133(226)100(57-114(208)209)180-126(219)90(39-42-110(154)204)171-143(236)107(67-243)188-125(218)88(29-20-47-163-150(159)160)167-123(216)87(28-19-46-162-149(157)158)169-141(234)105(65-196)186-135(228)102(59-116(212)213)182-144(237)108(68-244)189-131(224)95(53-78-32-36-82(202)37-33-78)175-124(217)86(27-17-18-45-151)168-140(233)104(64-195)185-130(223)94(52-77-30-34-81(201)35-31-77)176-134(227)101(58-115(210)211)181-142(235)106(66-197)187-147(240)119(73(6)199)192-137(230)97(51-76-23-13-10-14-24-76)183-146(239)118(72(5)198)190-113(207)62-165-122(215)89(38-41-109(153)203)170-139(232)103(63-194)184-121(214)84(152)55-80-61-161-69-166-80/h9-16,21-26,30-37,60-61,69-74,84,86-108,117-120,164,194-202,243-244H,17-20,27-29,38-59,62-68,151-152H2,1-8H3,(H2,153,203)(H2,154,204)(H2,155,205)(H2,156,206)(H,161,166)(H,165,215)(H,167,216)(H,168,233)(H,169,234)(H,170,232)(H,171,236)(H,172,222)(H,173,238)(H,174,225)(H,175,217)(H,176,227)(H,177,226)(H,178,220)(H,179,221)(H,180,219)(H,181,235)(H,182,237)(H,183,239)(H,184,214)(H,185,223)(H,186,228)(H,187,240)(H,188,218)(H,189,224)(H,190,207)(H,191,229)(H,192,230)(H,193,231)(H,208,209)(H,210,211)(H,212,213)(H,241,242)(H4,157,158,162)(H4,159,160,163)/t72-,73-,74-,84+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,117+,118+,119+,120+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration

J Med Chem 44: 3109-16 (2001)


BindingDB Entry DOI: 10.7270/Q2154HR7
More data for this
Ligand-Target Pair