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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50104036'   
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)		BDBM50104036
PNG
(CHEMBL414490 | His-Ser-Gln-Cys-Thr-Phe-Thr-Ser-Cys...)
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](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](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]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)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/C153H225N43O47S3/c1-72(2)52-97(132(223)175-96(47-51-244-11)131(222)183-104(60-116(159)209)141(232)196-122(78(10)203)151(242)243)178-136(227)103(58-83-63-167-89-29-19-18-28-87(83)89)182-129(220)95(43-46-115(158)208)176-148(239)119(74(5)6)193-139(230)101(54-79-24-14-12-15-25-79)180-137(228)105(61-117(210)211)184-128(219)93(41-44-113(156)206)170-123(214)75(7)169-125(216)91(31-22-49-165-152(160)161)171-126(217)92(32-23-50-166-153(162)163)173-144(235)109(67-199)189-138(229)106(62-118(212)213)185-133(224)98(53-73(3)4)177-134(225)99(56-81-33-37-85(204)38-34-81)179-127(218)90(30-20-21-48-154)172-143(234)108(66-198)188-135(226)100(57-82-35-39-86(205)40-36-82)181-146(237)111-69-245-246-70-112(191-130(221)94(42-45-114(157)207)174-142(233)107(65-197)187-124(215)88(155)59-84-64-164-71-168-84)147(238)195-120(76(8)201)149(240)186-102(55-80-26-16-13-17-27-80)140(231)194-121(77(9)202)150(241)190-110(68-200)145(236)192-111/h12-19,24-29,33-40,63-64,71-78,88,90-112,119-122,167,197-205H,20-23,30-32,41-62,65-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,168)(H,169,216)(H,170,214)(H,171,217)(H,172,234)(H,173,235)(H,174,233)(H,175,223)(H,176,239)(H,177,225)(H,178,227)(H,179,218)(H,180,228)(H,181,237)(H,182,220)(H,183,222)(H,184,219)(H,185,224)(H,186,240)(H,187,215)(H,188,226)(H,189,229)(H,190,241)(H,191,221)(H,192,236)(H,193,230)(H,194,231)(H,195,238)(H,196,232)(H,210,211)(H,212,213)(H,242,243)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-,121-,122-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 85n/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