BindingDB logo
myBDB logout

BDBM50104041 CHEMBL414077::His-Ser-Gln-Gly-Thr-Phe-Cys-Ser-Asp-Tyr-Ser-Cys-Tyr-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-Thr

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](CS)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](CS)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI Key: InChIKey=HVBOCZWBFCTPEF-KDQXUQDBSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104041   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon receptor


(Rattus norvegicus)
BDBM50104041
PNG
(CHEMBL414077 | His-Ser-Gln-Gly-Thr-Phe-Cys-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](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](CS)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](CS)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(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/C149H216N42O48S3/c1-69(2)47-92(128(219)170-91(43-46-242-10)127(218)178-99(55-112(154)203)138(229)191-119(74(9)197)147(238)239)173-133(224)98(53-79-59-162-85-26-18-17-25-83(79)85)177-126(217)90(39-42-111(153)202)171-145(236)117(71(5)6)190-137(228)97(50-76-23-15-12-16-24-76)175-134(225)100(56-114(205)206)179-125(216)89(38-41-110(152)201)166-120(211)72(7)165-123(214)86(27-19-44-160-148(155)156)167-124(215)87(28-20-45-161-149(157)158)168-140(231)104(63-193)185-136(227)102(58-116(209)210)180-129(220)93(48-70(3)4)172-130(221)94(51-77-29-33-81(198)34-30-77)176-143(234)107(66-240)188-142(233)106(65-195)184-131(222)95(52-78-31-35-82(199)36-32-78)174-135(226)101(57-115(207)208)181-141(232)105(64-194)186-144(235)108(67-241)187-132(223)96(49-75-21-13-11-14-22-75)182-146(237)118(73(8)196)189-113(204)61-163-122(213)88(37-40-109(151)200)169-139(230)103(62-192)183-121(212)84(150)54-80-60-159-68-164-80/h11-18,21-26,29-36,59-60,68-74,84,86-108,117-119,162,192-199,240-241H,19-20,27-28,37-58,61-67,150H2,1-10H3,(H2,151,200)(H2,152,201)(H2,153,202)(H2,154,203)(H,159,164)(H,163,213)(H,165,214)(H,166,211)(H,167,215)(H,168,231)(H,169,230)(H,170,219)(H,171,236)(H,172,221)(H,173,224)(H,174,226)(H,175,225)(H,176,234)(H,177,217)(H,178,218)(H,179,216)(H,180,220)(H,181,232)(H,182,237)(H,183,212)(H,184,222)(H,185,227)(H,186,235)(H,187,223)(H,188,233)(H,189,204)(H,190,228)(H,191,229)(H,205,206)(H,207,208)(H,209,210)(H,238,239)(H4,155,156,160)(H4,157,158,161)/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-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.40n/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