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BDBM50266688 CHEMBL4065550

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=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](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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@@H](C)CC)C(N)=O)C(N)=O

InChI Key: InChIKey=KCEYJKYPBKJKRE-GSGNXJCZSA-N

Data: 2 EC50

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 2 hits for monomerid = 50266688   
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-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50266688
PNG
(CHEMBL4065550)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=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](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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@@H](C)CC)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C208H329N59O64S/c1-13-15-16-17-18-19-20-21-22-23-24-25-32-62-158(282)234-123(171(217)296)66-71-157(281)223-76-40-37-53-122(170(216)295)235-193(318)146(104-272)259-200(325)150-59-44-80-265(150)205(330)152-61-46-82-267(152)206(331)151-60-45-81-266(151)204(329)112(9)232-160(284)97-230-176(301)142(100-268)255-198(323)147(105-273)258-199(324)149-58-43-79-264(149)162(286)99-227-159(283)96-228-175(300)138(90-156(215)280)249-180(305)125(55-36-39-75-210)238-185(310)133(84-108(3)4)245-187(312)137(88-117-94-226-121-52-34-33-51-119(117)121)248-183(308)131(67-72-163(287)288)244-201(326)167(110(7)14-2)262-191(316)135(86-115-47-28-26-29-48-115)247-189(314)139(91-164(289)290)250-182(307)129(64-69-154(213)278)236-172(297)111(8)233-177(302)126(56-41-77-224-207(218)219)237-179(304)127(57-42-78-225-208(220)221)240-196(321)145(103-271)257-190(315)141(93-166(293)294)251-184(309)132(73-83-332-12)243-181(306)130(65-70-155(214)279)242-178(303)124(54-35-38-74-209)239-195(320)144(102-270)256-186(311)134(85-109(5)6)246-188(313)140(92-165(291)292)252-197(322)148(106-274)260-203(328)169(114(11)276)263-192(317)136(87-116-49-30-27-31-50-116)253-202(327)168(113(10)275)261-161(285)98-229-174(299)128(63-68-153(212)277)241-194(319)143(101-269)254-173(298)120(211)89-118-95-222-107-231-118/h26-31,33-34,47-52,94-95,107-114,120,122-152,167-169,226,268-276H,13-25,32,35-46,53-93,96-106,209-211H2,1-12H3,(H2,212,277)(H2,213,278)(H2,214,279)(H2,215,280)(H2,216,295)(H2,217,296)(H,222,231)(H,223,281)(H,227,283)(H,228,300)(H,229,299)(H,230,301)(H,232,284)(H,233,302)(H,234,282)(H,235,318)(H,236,297)(H,237,304)(H,238,310)(H,239,320)(H,240,321)(H,241,319)(H,242,303)(H,243,306)(H,244,326)(H,245,312)(H,246,313)(H,247,314)(H,248,308)(H,249,305)(H,250,307)(H,251,309)(H,252,322)(H,253,327)(H,254,298)(H,255,323)(H,256,311)(H,257,315)(H,258,324)(H,259,325)(H,260,328)(H,261,285)(H,262,316)(H,263,317)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H4,218,219,224)(H4,220,221,225)/t110-,111-,112-,113+,114-,120-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,167-,168-,169-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.20n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF 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
Glucagon receptor


(Homo sapiens (Human))
BDBM50266688
PNG
(CHEMBL4065550)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=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](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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@@H](C)CC)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C208H329N59O64S/c1-13-15-16-17-18-19-20-21-22-23-24-25-32-62-158(282)234-123(171(217)296)66-71-157(281)223-76-40-37-53-122(170(216)295)235-193(318)146(104-272)259-200(325)150-59-44-80-265(150)205(330)152-61-46-82-267(152)206(331)151-60-45-81-266(151)204(329)112(9)232-160(284)97-230-176(301)142(100-268)255-198(323)147(105-273)258-199(324)149-58-43-79-264(149)162(286)99-227-159(283)96-228-175(300)138(90-156(215)280)249-180(305)125(55-36-39-75-210)238-185(310)133(84-108(3)4)245-187(312)137(88-117-94-226-121-52-34-33-51-119(117)121)248-183(308)131(67-72-163(287)288)244-201(326)167(110(7)14-2)262-191(316)135(86-115-47-28-26-29-48-115)247-189(314)139(91-164(289)290)250-182(307)129(64-69-154(213)278)236-172(297)111(8)233-177(302)126(56-41-77-224-207(218)219)237-179(304)127(57-42-78-225-208(220)221)240-196(321)145(103-271)257-190(315)141(93-166(293)294)251-184(309)132(73-83-332-12)243-181(306)130(65-70-155(214)279)242-178(303)124(54-35-38-74-209)239-195(320)144(102-270)256-186(311)134(85-109(5)6)246-188(313)140(92-165(291)292)252-197(322)148(106-274)260-203(328)169(114(11)276)263-192(317)136(87-116-49-30-27-31-50-116)253-202(327)168(113(10)275)261-161(285)98-229-174(299)128(63-68-153(212)277)241-194(319)143(101-269)254-173(298)120(211)89-118-95-222-107-231-118/h26-31,33-34,47-52,94-95,107-114,120,122-152,167-169,226,268-276H,13-25,32,35-46,53-93,96-106,209-211H2,1-12H3,(H2,212,277)(H2,213,278)(H2,214,279)(H2,215,280)(H2,216,295)(H2,217,296)(H,222,231)(H,223,281)(H,227,283)(H,228,300)(H,229,299)(H,230,301)(H,232,284)(H,233,302)(H,234,282)(H,235,318)(H,236,297)(H,237,304)(H,238,310)(H,239,320)(H,240,321)(H,241,319)(H,242,303)(H,243,306)(H,244,326)(H,245,312)(H,246,313)(H,247,314)(H,248,308)(H,249,305)(H,250,307)(H,251,309)(H,252,322)(H,253,327)(H,254,298)(H,255,323)(H,256,311)(H,257,315)(H,258,324)(H,259,325)(H,260,328)(H,261,285)(H,262,316)(H,263,317)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H4,218,219,224)(H4,220,221,225)/t110-,111-,112-,113+,114-,120-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,167-,168-,169-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.20n/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 30 mins by HTRF 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