BindingDB logo
myBDB logout

BDBM50275567 CHEMBL4128194

SMILES: CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=QDRJYJGHSHTRLV-FWTLDDLOSA-N

Data: 3 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 3 hits for monomerid = 50275567   
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
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50275567
PNG
(CHEMBL4128194)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C213H336N54O64/c1-19-21-22-23-24-25-26-27-28-29-30-31-32-39-67-162(279)235-139(210(329)330)72-79-163(280)236-138(209(327)328)71-78-161(278)224-84-47-44-61-131(238-185(303)134(69-76-159(218)276)241-182(300)130(60-43-46-83-215)240-198(316)151(108-270)256-192(310)143(93-115(9)10)248-195(313)148(99-171(291)292)252-199(317)153(110-272)258-205(323)174(121(16)274)262-197(315)145(95-123-55-37-34-38-56-123)253-204(322)173(120(15)273)260-166(283)104-229-179(297)133(68-75-158(217)275)259-211(331)213(17,18)263-178(296)127(216)97-125-101-223-111-231-125)184(302)251-147(98-170(289)290)194(312)243-136(73-80-168(285)286)187(305)242-135(70-77-160(219)277)186(304)239-132(62-48-85-225-212(221)222)181(299)234-118(13)177(295)237-129(59-42-45-82-214)183(301)245-141(91-113(5)6)191(309)249-144(94-122-53-35-33-36-54-122)196(314)261-172(116(11)20-2)203(321)244-137(74-81-169(287)288)188(306)250-146(96-124-100-226-128-58-41-40-57-126(124)128)193(311)247-142(92-114(7)8)190(308)246-140(90-112(3)4)189(307)233-117(12)176(294)228-102-164(281)227-105-167(284)264-86-49-63-154(264)201(319)257-152(109-271)200(318)255-150(107-269)180(298)230-103-165(282)232-119(14)206(324)266-88-51-65-156(266)208(326)267-89-52-66-157(267)207(325)265-87-50-64-155(265)202(320)254-149(106-268)175(220)293/h33-38,40-41,53-58,100-101,111-121,127,129-157,172-174,226,268-274H,19-32,39,42-52,59-99,102-110,214-216H2,1-18H3,(H2,217,275)(H2,218,276)(H2,219,277)(H2,220,293)(H,223,231)(H,224,278)(H,227,281)(H,228,294)(H,229,297)(H,230,298)(H,232,282)(H,233,307)(H,234,299)(H,235,279)(H,236,280)(H,237,295)(H,238,303)(H,239,304)(H,240,316)(H,241,300)(H,242,305)(H,243,312)(H,244,321)(H,245,301)(H,246,308)(H,247,311)(H,248,313)(H,249,309)(H,250,306)(H,251,302)(H,252,317)(H,253,322)(H,254,320)(H,255,318)(H,256,310)(H,257,319)(H,258,323)(H,259,331)(H,260,283)(H,261,314)(H,262,315)(H,263,296)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,327,328)(H,329,330)(H4,221,222,225)/t116-,117-,118-,119-,120+,121+,127-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,172-,173-,174-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 189n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GIP receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay


J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50275567
PNG
(CHEMBL4128194)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C213H336N54O64/c1-19-21-22-23-24-25-26-27-28-29-30-31-32-39-67-162(279)235-139(210(329)330)72-79-163(280)236-138(209(327)328)71-78-161(278)224-84-47-44-61-131(238-185(303)134(69-76-159(218)276)241-182(300)130(60-43-46-83-215)240-198(316)151(108-270)256-192(310)143(93-115(9)10)248-195(313)148(99-171(291)292)252-199(317)153(110-272)258-205(323)174(121(16)274)262-197(315)145(95-123-55-37-34-38-56-123)253-204(322)173(120(15)273)260-166(283)104-229-179(297)133(68-75-158(217)275)259-211(331)213(17,18)263-178(296)127(216)97-125-101-223-111-231-125)184(302)251-147(98-170(289)290)194(312)243-136(73-80-168(285)286)187(305)242-135(70-77-160(219)277)186(304)239-132(62-48-85-225-212(221)222)181(299)234-118(13)177(295)237-129(59-42-45-82-214)183(301)245-141(91-113(5)6)191(309)249-144(94-122-53-35-33-36-54-122)196(314)261-172(116(11)20-2)203(321)244-137(74-81-169(287)288)188(306)250-146(96-124-100-226-128-58-41-40-57-126(124)128)193(311)247-142(92-114(7)8)190(308)246-140(90-112(3)4)189(307)233-117(12)176(294)228-102-164(281)227-105-167(284)264-86-49-63-154(264)201(319)257-152(109-271)200(318)255-150(107-269)180(298)230-103-165(282)232-119(14)206(324)266-88-51-65-156(266)208(326)267-89-52-66-157(267)207(325)265-87-50-64-155(265)202(320)254-149(106-268)175(220)293/h33-38,40-41,53-58,100-101,111-121,127,129-157,172-174,226,268-274H,19-32,39,42-52,59-99,102-110,214-216H2,1-18H3,(H2,217,275)(H2,218,276)(H2,219,277)(H2,220,293)(H,223,231)(H,224,278)(H,227,281)(H,228,294)(H,229,297)(H,230,298)(H,232,282)(H,233,307)(H,234,299)(H,235,279)(H,236,280)(H,237,295)(H,238,303)(H,239,304)(H,240,316)(H,241,300)(H,242,305)(H,243,312)(H,244,321)(H,245,301)(H,246,308)(H,247,311)(H,248,313)(H,249,309)(H,250,306)(H,251,302)(H,252,317)(H,253,322)(H,254,320)(H,255,318)(H,256,310)(H,257,319)(H,258,323)(H,259,331)(H,260,283)(H,261,314)(H,262,315)(H,263,296)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,327,328)(H,329,330)(H4,221,222,225)/t116-,117-,118-,119-,120+,121+,127-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,172-,173-,174-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.80n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay


J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50275567
PNG
(CHEMBL4128194)
Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C213H336N54O64/c1-19-21-22-23-24-25-26-27-28-29-30-31-32-39-67-162(279)235-139(210(329)330)72-79-163(280)236-138(209(327)328)71-78-161(278)224-84-47-44-61-131(238-185(303)134(69-76-159(218)276)241-182(300)130(60-43-46-83-215)240-198(316)151(108-270)256-192(310)143(93-115(9)10)248-195(313)148(99-171(291)292)252-199(317)153(110-272)258-205(323)174(121(16)274)262-197(315)145(95-123-55-37-34-38-56-123)253-204(322)173(120(15)273)260-166(283)104-229-179(297)133(68-75-158(217)275)259-211(331)213(17,18)263-178(296)127(216)97-125-101-223-111-231-125)184(302)251-147(98-170(289)290)194(312)243-136(73-80-168(285)286)187(305)242-135(70-77-160(219)277)186(304)239-132(62-48-85-225-212(221)222)181(299)234-118(13)177(295)237-129(59-42-45-82-214)183(301)245-141(91-113(5)6)191(309)249-144(94-122-53-35-33-36-54-122)196(314)261-172(116(11)20-2)203(321)244-137(74-81-169(287)288)188(306)250-146(96-124-100-226-128-58-41-40-57-126(124)128)193(311)247-142(92-114(7)8)190(308)246-140(90-112(3)4)189(307)233-117(12)176(294)228-102-164(281)227-105-167(284)264-86-49-63-154(264)201(319)257-152(109-271)200(318)255-150(107-269)180(298)230-103-165(282)232-119(14)206(324)266-88-51-65-156(266)208(326)267-89-52-66-157(267)207(325)265-87-50-64-155(265)202(320)254-149(106-268)175(220)293/h33-38,40-41,53-58,100-101,111-121,127,129-157,172-174,226,268-274H,19-32,39,42-52,59-99,102-110,214-216H2,1-18H3,(H2,217,275)(H2,218,276)(H2,219,277)(H2,220,293)(H,223,231)(H,224,278)(H,227,281)(H,228,294)(H,229,297)(H,230,298)(H,232,282)(H,233,307)(H,234,299)(H,235,279)(H,236,280)(H,237,295)(H,238,303)(H,239,304)(H,240,316)(H,241,300)(H,242,305)(H,243,312)(H,244,321)(H,245,301)(H,246,308)(H,247,311)(H,248,313)(H,249,309)(H,250,306)(H,251,302)(H,252,317)(H,253,322)(H,254,320)(H,255,318)(H,256,310)(H,257,319)(H,258,323)(H,259,331)(H,260,283)(H,261,314)(H,262,315)(H,263,296)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,327,328)(H,329,330)(H4,221,222,225)/t116-,117-,118-,119-,120+,121+,127-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,172-,173-,174-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.60n/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 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair