BindingDB logo
myBDB logout

BDBM50275595 CHEMBL4127525

SMILES: CCCCCCCCCCCCCCCCCCC(=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](CCCCN)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

InChI Key: InChIKey=CGBDFTCMKGDULZ-PRJMTVGKSA-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 = 50275595   
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


(Homo sapiens (Human))		BDBM50275595
PNG
(CHEMBL4127525)
Show SMILES CCCCCCCCCCCCCCCCCCC(=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](CCCCN)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 |r|
Show InChI InChI=1S/C210H334N54O61/c1-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-39-70-161(276)233-139(207(323)324)74-80-160(275)222-86-49-45-64-132(235-184(300)135(72-78-158(216)273)239-181(297)131(63-44-48-85-213)238-196(312)150(109-267)253-190(306)142(94-115(7)8)245-193(309)147(100-169(287)288)249-197(313)152(111-269)255-203(319)172(121(14)271)259-195(311)144(96-123-57-37-34-38-58-123)250-202(318)171(120(13)270)257-164(279)105-227-177(293)134(71-77-157(215)272)256-208(325)210(15,16)260-176(292)127(214)98-125-102-221-112-229-125)183(299)248-146(99-168(285)286)192(308)241-137(75-81-166(281)282)186(302)240-136(73-79-159(217)274)185(301)236-133(65-50-87-223-209(219)220)180(296)232-118(11)175(291)234-130(62-43-47-84-212)182(298)243-141(93-114(5)6)189(305)246-143(95-122-55-35-33-36-56-122)194(310)258-170(116(9)18-2)201(317)242-138(76-82-167(283)284)187(303)247-145(97-124-101-224-128-60-41-40-59-126(124)128)191(307)244-140(92-113(3)4)188(304)237-129(61-42-46-83-211)179(295)231-117(10)174(290)226-103-162(277)225-106-165(280)261-88-51-66-153(261)199(315)254-151(110-268)198(314)252-149(108-266)178(294)228-104-163(278)230-119(12)204(320)263-90-53-68-155(263)206(322)264-91-54-69-156(264)205(321)262-89-52-67-154(262)200(316)251-148(107-265)173(218)289/h33-38,40-41,55-60,101-102,112-121,127,129-156,170-172,224,265-271H,17-32,39,42-54,61-100,103-111,211-214H2,1-16H3,(H2,215,272)(H2,216,273)(H2,217,274)(H2,218,289)(H,221,229)(H,222,275)(H,225,277)(H,226,290)(H,227,293)(H,228,294)(H,230,278)(H,231,295)(H,232,296)(H,233,276)(H,234,291)(H,235,300)(H,236,301)(H,237,304)(H,238,312)(H,239,297)(H,240,302)(H,241,308)(H,242,317)(H,243,298)(H,244,307)(H,245,309)(H,246,305)(H,247,303)(H,248,299)(H,249,313)(H,250,318)(H,251,316)(H,252,314)(H,253,306)(H,254,315)(H,255,319)(H,256,325)(H,257,279)(H,258,310)(H,259,311)(H,260,292)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,323,324)(H4,219,220,223)/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-,170-,171-,172-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.90n/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
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50275595
PNG
(CHEMBL4127525)
Show SMILES CCCCCCCCCCCCCCCCCCC(=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](CCCCN)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 |r|
Show InChI InChI=1S/C210H334N54O61/c1-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-39-70-161(276)233-139(207(323)324)74-80-160(275)222-86-49-45-64-132(235-184(300)135(72-78-158(216)273)239-181(297)131(63-44-48-85-213)238-196(312)150(109-267)253-190(306)142(94-115(7)8)245-193(309)147(100-169(287)288)249-197(313)152(111-269)255-203(319)172(121(14)271)259-195(311)144(96-123-57-37-34-38-58-123)250-202(318)171(120(13)270)257-164(279)105-227-177(293)134(71-77-157(215)272)256-208(325)210(15,16)260-176(292)127(214)98-125-102-221-112-229-125)183(299)248-146(99-168(285)286)192(308)241-137(75-81-166(281)282)186(302)240-136(73-79-159(217)274)185(301)236-133(65-50-87-223-209(219)220)180(296)232-118(11)175(291)234-130(62-43-47-84-212)182(298)243-141(93-114(5)6)189(305)246-143(95-122-55-35-33-36-56-122)194(310)258-170(116(9)18-2)201(317)242-138(76-82-167(283)284)187(303)247-145(97-124-101-224-128-60-41-40-59-126(124)128)191(307)244-140(92-113(3)4)188(304)237-129(61-42-46-83-211)179(295)231-117(10)174(290)226-103-162(277)225-106-165(280)261-88-51-66-153(261)199(315)254-151(110-268)198(314)252-149(108-266)178(294)228-104-163(278)230-119(12)204(320)263-90-53-68-155(263)206(322)264-91-54-69-156(264)205(321)262-89-52-67-154(262)200(316)251-148(107-265)173(218)289/h33-38,40-41,55-60,101-102,112-121,127,129-156,170-172,224,265-271H,17-32,39,42-54,61-100,103-111,211-214H2,1-16H3,(H2,215,272)(H2,216,273)(H2,217,274)(H2,218,289)(H,221,229)(H,222,275)(H,225,277)(H,226,290)(H,227,293)(H,228,294)(H,230,278)(H,231,295)(H,232,296)(H,233,276)(H,234,291)(H,235,300)(H,236,301)(H,237,304)(H,238,312)(H,239,297)(H,240,302)(H,241,308)(H,242,317)(H,243,298)(H,244,307)(H,245,309)(H,246,305)(H,247,303)(H,248,299)(H,249,313)(H,250,318)(H,251,316)(H,252,314)(H,253,306)(H,254,315)(H,255,319)(H,256,325)(H,257,279)(H,258,310)(H,259,311)(H,260,292)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,323,324)(H4,219,220,223)/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-,170-,171-,172-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.5n/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
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))		BDBM50275595
PNG
(CHEMBL4127525)
Show SMILES CCCCCCCCCCCCCCCCCCC(=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](CCCCN)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 |r|
Show InChI InChI=1S/C210H334N54O61/c1-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-39-70-161(276)233-139(207(323)324)74-80-160(275)222-86-49-45-64-132(235-184(300)135(72-78-158(216)273)239-181(297)131(63-44-48-85-213)238-196(312)150(109-267)253-190(306)142(94-115(7)8)245-193(309)147(100-169(287)288)249-197(313)152(111-269)255-203(319)172(121(14)271)259-195(311)144(96-123-57-37-34-38-58-123)250-202(318)171(120(13)270)257-164(279)105-227-177(293)134(71-77-157(215)272)256-208(325)210(15,16)260-176(292)127(214)98-125-102-221-112-229-125)183(299)248-146(99-168(285)286)192(308)241-137(75-81-166(281)282)186(302)240-136(73-79-159(217)274)185(301)236-133(65-50-87-223-209(219)220)180(296)232-118(11)175(291)234-130(62-43-47-84-212)182(298)243-141(93-114(5)6)189(305)246-143(95-122-55-35-33-36-56-122)194(310)258-170(116(9)18-2)201(317)242-138(76-82-167(283)284)187(303)247-145(97-124-101-224-128-60-41-40-59-126(124)128)191(307)244-140(92-113(3)4)188(304)237-129(61-42-46-83-211)179(295)231-117(10)174(290)226-103-162(277)225-106-165(280)261-88-51-66-153(261)199(315)254-151(110-268)198(314)252-149(108-266)178(294)228-104-163(278)230-119(12)204(320)263-90-53-68-155(263)206(322)264-91-54-69-156(264)205(321)262-89-52-67-154(262)200(316)251-148(107-265)173(218)289/h33-38,40-41,55-60,101-102,112-121,127,129-156,170-172,224,265-271H,17-32,39,42-54,61-100,103-111,211-214H2,1-16H3,(H2,215,272)(H2,216,273)(H2,217,274)(H2,218,289)(H,221,229)(H,222,275)(H,225,277)(H,226,290)(H,227,293)(H,228,294)(H,230,278)(H,231,295)(H,232,296)(H,233,276)(H,234,291)(H,235,300)(H,236,301)(H,237,304)(H,238,312)(H,239,297)(H,240,302)(H,241,308)(H,242,317)(H,243,298)(H,244,307)(H,245,309)(H,246,305)(H,247,303)(H,248,299)(H,249,313)(H,250,318)(H,251,316)(H,252,314)(H,253,306)(H,254,315)(H,255,319)(H,256,325)(H,257,279)(H,258,310)(H,259,311)(H,260,292)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,323,324)(H4,219,220,223)/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-,170-,171-,172-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 40n/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