BindingDB logo
myBDB logout

BDBM50459992 CHEMBL4227180

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=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](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(O)=O

InChI Key: InChIKey=UDIBVBFJEJAWFW-NUNQZLDZSA-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 = 50459992   
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))		BDBM50459992
PNG
(CHEMBL4227180)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=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](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C177H273N47O54/c1-14-15-16-17-18-19-20-21-22-23-24-25-32-51-136(236)200-116(175(277)278)59-64-135(235)189-67-38-36-48-110(203-164(266)126(80-142(245)246)217-171(273)130(89-227)221-174(276)146(98(13)229)224-168(270)122(74-100-43-30-27-31-44-100)218-173(275)145(97(12)228)222-138(238)86-194-151(253)112(56-61-131(180)231)205-169(271)128(87-225)219-149(251)106(179)77-103-83-188-90-196-103)155(257)220-129(88-226)170(272)204-109(47-35-37-66-178)154(256)211-120(75-101-52-54-104(230)55-53-101)162(264)209-119(72-93(6)7)161(263)216-125(79-141(243)244)165(267)206-115(60-65-139(239)240)156(258)202-111(50-40-69-191-177(186)187)153(255)198-95(10)147(249)197-96(11)148(250)201-113(57-62-132(181)232)157(259)215-127(81-143(247)248)166(268)212-121(73-99-41-28-26-29-42-99)167(269)223-144(94(8)9)172(274)207-114(58-63-133(182)233)158(260)213-123(76-102-82-192-107-46-34-33-45-105(102)107)163(265)210-117(70-91(2)3)159(261)208-118(71-92(4)5)160(262)214-124(78-140(241)242)152(254)195-85-137(237)199-108(49-39-68-190-176(184)185)150(252)193-84-134(183)234/h26-31,33-34,41-46,52-55,82-83,90-98,106,108-130,144-146,192,225-230H,14-25,32,35-40,47-51,56-81,84-89,178-179H2,1-13H3,(H2,180,231)(H2,181,232)(H2,182,233)(H2,183,234)(H,188,196)(H,189,235)(H,193,252)(H,194,253)(H,195,254)(H,197,249)(H,198,255)(H,199,237)(H,200,236)(H,201,250)(H,202,258)(H,203,266)(H,204,272)(H,205,271)(H,206,267)(H,207,274)(H,208,261)(H,209,264)(H,210,265)(H,211,256)(H,212,268)(H,213,260)(H,214,262)(H,215,259)(H,216,263)(H,217,273)(H,218,275)(H,219,251)(H,220,257)(H,221,276)(H,222,238)(H,223,269)(H,224,270)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,277,278)(H4,184,185,190)(H4,186,187,191)/t95-,96-,97+,98+,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,130-,144-,145-,146-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.00400n/an/an/an/a



Novo Nordisk Research Center Indianapolis

Curated by ChEMBL


Assay Description
Agonist activity at human GCG receptor expressed in HEK293 cells assessed as increase in cAMP level after 5 hrs by CRE driven luciferase reporter gen...

Bioorg Med Chem 26: 2873-2881 (2018)


Article DOI: 10.1016/j.bmc.2017.10.047
BindingDB Entry DOI: 10.7270/Q2FN18TN
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))		BDBM50459992
PNG
(CHEMBL4227180)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=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](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C177H273N47O54/c1-14-15-16-17-18-19-20-21-22-23-24-25-32-51-136(236)200-116(175(277)278)59-64-135(235)189-67-38-36-48-110(203-164(266)126(80-142(245)246)217-171(273)130(89-227)221-174(276)146(98(13)229)224-168(270)122(74-100-43-30-27-31-44-100)218-173(275)145(97(12)228)222-138(238)86-194-151(253)112(56-61-131(180)231)205-169(271)128(87-225)219-149(251)106(179)77-103-83-188-90-196-103)155(257)220-129(88-226)170(272)204-109(47-35-37-66-178)154(256)211-120(75-101-52-54-104(230)55-53-101)162(264)209-119(72-93(6)7)161(263)216-125(79-141(243)244)165(267)206-115(60-65-139(239)240)156(258)202-111(50-40-69-191-177(186)187)153(255)198-95(10)147(249)197-96(11)148(250)201-113(57-62-132(181)232)157(259)215-127(81-143(247)248)166(268)212-121(73-99-41-28-26-29-42-99)167(269)223-144(94(8)9)172(274)207-114(58-63-133(182)233)158(260)213-123(76-102-82-192-107-46-34-33-45-105(102)107)163(265)210-117(70-91(2)3)159(261)208-118(71-92(4)5)160(262)214-124(78-140(241)242)152(254)195-85-137(237)199-108(49-39-68-190-176(184)185)150(252)193-84-134(183)234/h26-31,33-34,41-46,52-55,82-83,90-98,106,108-130,144-146,192,225-230H,14-25,32,35-40,47-51,56-81,84-89,178-179H2,1-13H3,(H2,180,231)(H2,181,232)(H2,182,233)(H2,183,234)(H,188,196)(H,189,235)(H,193,252)(H,194,253)(H,195,254)(H,197,249)(H,198,255)(H,199,237)(H,200,236)(H,201,250)(H,202,258)(H,203,266)(H,204,272)(H,205,271)(H,206,267)(H,207,274)(H,208,261)(H,209,264)(H,210,265)(H,211,256)(H,212,268)(H,213,260)(H,214,262)(H,215,259)(H,216,263)(H,217,273)(H,218,275)(H,219,251)(H,220,257)(H,221,276)(H,222,238)(H,223,269)(H,224,270)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,277,278)(H4,184,185,190)(H4,186,187,191)/t95-,96-,97+,98+,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,130-,144-,145-,146-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.812n/an/an/an/a



Novo Nordisk Research Center Indianapolis

Curated by ChEMBL


Assay Description
Agonist activity at human GIP receptor expressed in HEK293 cells assessed as increase in cAMP level after 5 hrs by CRE driven luciferase reporter gen...

Bioorg Med Chem 26: 2873-2881 (2018)


Article DOI: 10.1016/j.bmc.2017.10.047
BindingDB Entry DOI: 10.7270/Q2FN18TN
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50459992
PNG
(CHEMBL4227180)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=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](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C177H273N47O54/c1-14-15-16-17-18-19-20-21-22-23-24-25-32-51-136(236)200-116(175(277)278)59-64-135(235)189-67-38-36-48-110(203-164(266)126(80-142(245)246)217-171(273)130(89-227)221-174(276)146(98(13)229)224-168(270)122(74-100-43-30-27-31-44-100)218-173(275)145(97(12)228)222-138(238)86-194-151(253)112(56-61-131(180)231)205-169(271)128(87-225)219-149(251)106(179)77-103-83-188-90-196-103)155(257)220-129(88-226)170(272)204-109(47-35-37-66-178)154(256)211-120(75-101-52-54-104(230)55-53-101)162(264)209-119(72-93(6)7)161(263)216-125(79-141(243)244)165(267)206-115(60-65-139(239)240)156(258)202-111(50-40-69-191-177(186)187)153(255)198-95(10)147(249)197-96(11)148(250)201-113(57-62-132(181)232)157(259)215-127(81-143(247)248)166(268)212-121(73-99-41-28-26-29-42-99)167(269)223-144(94(8)9)172(274)207-114(58-63-133(182)233)158(260)213-123(76-102-82-192-107-46-34-33-45-105(102)107)163(265)210-117(70-91(2)3)159(261)208-118(71-92(4)5)160(262)214-124(78-140(241)242)152(254)195-85-137(237)199-108(49-39-68-190-176(184)185)150(252)193-84-134(183)234/h26-31,33-34,41-46,52-55,82-83,90-98,106,108-130,144-146,192,225-230H,14-25,32,35-40,47-51,56-81,84-89,178-179H2,1-13H3,(H2,180,231)(H2,181,232)(H2,182,233)(H2,183,234)(H,188,196)(H,189,235)(H,193,252)(H,194,253)(H,195,254)(H,197,249)(H,198,255)(H,199,237)(H,200,236)(H,201,250)(H,202,258)(H,203,266)(H,204,272)(H,205,271)(H,206,267)(H,207,274)(H,208,261)(H,209,264)(H,210,265)(H,211,256)(H,212,268)(H,213,260)(H,214,262)(H,215,259)(H,216,263)(H,217,273)(H,218,275)(H,219,251)(H,220,257)(H,221,276)(H,222,238)(H,223,269)(H,224,270)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,277,278)(H4,184,185,190)(H4,186,187,191)/t95-,96-,97+,98+,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,130-,144-,145-,146-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.00200n/an/an/an/a



Novo Nordisk Research Center Indianapolis

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells assessed as increase in cAMP level after 5 hrs by CRE driven luciferase reporter ge...

Bioorg Med Chem 26: 2873-2881 (2018)


Article DOI: 10.1016/j.bmc.2017.10.047
BindingDB Entry DOI: 10.7270/Q2FN18TN
More data for this
Ligand-Target Pair