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BDBM50121396 CHEMBL3616712

SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[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(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O

InChI Key: InChIKey=VIZCPLHQCMRRLL-BPIHZNFNSA-N

Data: 2 IC50  1 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 = 50121396   
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))		BDBM50121396
PNG
(CHEMBL3616712)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[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(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C174H269N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-31-32-39-55-131(226)197-118(172(267)268)61-66-130(225)182-70-43-42-52-113(155(250)201-117(64-69-137(234)235)156(251)206-122(75-102-46-35-33-36-47-102)161(256)216-142(95(11)19-2)169(264)194-99(15)148(243)203-124(78-105-81-185-110-51-41-40-50-108(105)110)159(254)205-120(74-92(5)6)160(255)214-140(93(7)8)167(262)202-112(54-45-72-184-174(179)180)151(246)186-83-132(227)195-111(53-44-71-183-173(177)178)150(245)189-86-139(238)239)198-146(241)97(13)191-145(240)96(12)193-154(249)116(60-65-129(176)224)196-133(228)84-187-153(248)115(63-68-136(232)233)200-157(252)119(73-91(3)4)204-158(253)121(77-104-56-58-107(223)59-57-104)207-164(259)126(87-218)210-166(261)128(89-220)211-168(263)141(94(9)10)215-163(258)125(80-138(236)237)208-165(260)127(88-219)212-171(266)144(101(17)222)217-162(257)123(76-103-48-37-34-38-49-103)209-170(265)143(100(16)221)213-134(229)85-188-152(247)114(62-67-135(230)231)199-147(242)98(14)192-149(244)109(175)79-106-82-181-90-190-106/h33-38,40-41,46-51,56-59,81-82,90-101,109,111-128,140-144,185,218-223H,18-32,39,42-45,52-55,60-80,83-89,175H2,1-17H3,(H2,176,224)(H,181,190)(H,182,225)(H,186,246)(H,187,248)(H,188,247)(H,189,245)(H,191,240)(H,192,244)(H,193,249)(H,194,264)(H,195,227)(H,196,228)(H,197,226)(H,198,241)(H,199,242)(H,200,252)(H,201,250)(H,202,262)(H,203,243)(H,204,253)(H,205,254)(H,206,251)(H,207,259)(H,208,260)(H,209,265)(H,210,261)(H,211,263)(H,212,266)(H,213,229)(H,214,255)(H,215,258)(H,216,256)(H,217,257)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,267,268)(H4,177,178,183)(H4,179,180,184)/t95-,96-,97-,98-,99-,100+,101+,109-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,140-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin

J Med Chem 58: 7370-80 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3H6D
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50121396
PNG
(CHEMBL3616712)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[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(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C174H269N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-31-32-39-55-131(226)197-118(172(267)268)61-66-130(225)182-70-43-42-52-113(155(250)201-117(64-69-137(234)235)156(251)206-122(75-102-46-35-33-36-47-102)161(256)216-142(95(11)19-2)169(264)194-99(15)148(243)203-124(78-105-81-185-110-51-41-40-50-108(105)110)159(254)205-120(74-92(5)6)160(255)214-140(93(7)8)167(262)202-112(54-45-72-184-174(179)180)151(246)186-83-132(227)195-111(53-44-71-183-173(177)178)150(245)189-86-139(238)239)198-146(241)97(13)191-145(240)96(12)193-154(249)116(60-65-129(176)224)196-133(228)84-187-153(248)115(63-68-136(232)233)200-157(252)119(73-91(3)4)204-158(253)121(77-104-56-58-107(223)59-57-104)207-164(259)126(87-218)210-166(261)128(89-220)211-168(263)141(94(9)10)215-163(258)125(80-138(236)237)208-165(260)127(88-219)212-171(266)144(101(17)222)217-162(257)123(76-103-48-37-34-38-49-103)209-170(265)143(100(16)221)213-134(229)85-188-152(247)114(62-67-135(230)231)199-147(242)98(14)192-149(244)109(175)79-106-82-181-90-190-106/h33-38,40-41,46-51,56-59,81-82,90-101,109,111-128,140-144,185,218-223H,18-32,39,42-45,52-55,60-80,83-89,175H2,1-17H3,(H2,176,224)(H,181,190)(H,182,225)(H,186,246)(H,187,248)(H,188,247)(H,189,245)(H,191,240)(H,192,244)(H,193,249)(H,194,264)(H,195,227)(H,196,228)(H,197,226)(H,198,241)(H,199,242)(H,200,252)(H,201,250)(H,202,262)(H,203,243)(H,204,253)(H,205,254)(H,206,251)(H,207,259)(H,208,260)(H,209,265)(H,210,261)(H,211,263)(H,212,266)(H,213,229)(H,214,255)(H,215,258)(H,216,256)(H,217,257)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,267,268)(H4,177,178,183)(H4,179,180,184)/t95-,96-,97-,98-,99-,100+,101+,109-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,140-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 17n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in BHK cells after 3 hrs by CRE firefly luciferase reporter gene assay in absence of human serum al...

J Med Chem 58: 7370-80 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3H6D
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50121396
PNG
(CHEMBL3616712)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[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(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C174H269N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-31-32-39-55-131(226)197-118(172(267)268)61-66-130(225)182-70-43-42-52-113(155(250)201-117(64-69-137(234)235)156(251)206-122(75-102-46-35-33-36-47-102)161(256)216-142(95(11)19-2)169(264)194-99(15)148(243)203-124(78-105-81-185-110-51-41-40-50-108(105)110)159(254)205-120(74-92(5)6)160(255)214-140(93(7)8)167(262)202-112(54-45-72-184-174(179)180)151(246)186-83-132(227)195-111(53-44-71-183-173(177)178)150(245)189-86-139(238)239)198-146(241)97(13)191-145(240)96(12)193-154(249)116(60-65-129(176)224)196-133(228)84-187-153(248)115(63-68-136(232)233)200-157(252)119(73-91(3)4)204-158(253)121(77-104-56-58-107(223)59-57-104)207-164(259)126(87-218)210-166(261)128(89-220)211-168(263)141(94(9)10)215-163(258)125(80-138(236)237)208-165(260)127(88-219)212-171(266)144(101(17)222)217-162(257)123(76-103-48-37-34-38-49-103)209-170(265)143(100(16)221)213-134(229)85-188-152(247)114(62-67-135(230)231)199-147(242)98(14)192-149(244)109(175)79-106-82-181-90-190-106/h33-38,40-41,46-51,56-59,81-82,90-101,109,111-128,140-144,185,218-223H,18-32,39,42-45,52-55,60-80,83-89,175H2,1-17H3,(H2,176,224)(H,181,190)(H,182,225)(H,186,246)(H,187,248)(H,188,247)(H,189,245)(H,191,240)(H,192,244)(H,193,249)(H,194,264)(H,195,227)(H,196,228)(H,197,226)(H,198,241)(H,199,242)(H,200,252)(H,201,250)(H,202,262)(H,203,243)(H,204,253)(H,205,254)(H,206,251)(H,207,259)(H,208,260)(H,209,265)(H,210,261)(H,211,263)(H,212,266)(H,213,229)(H,214,255)(H,215,258)(H,216,256)(H,217,257)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,267,268)(H4,177,178,183)(H4,179,180,184)/t95-,96-,97-,98-,99-,100+,101+,109-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,140-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in absence of human serum albumin

J Med Chem 58: 7370-80 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3H6D
More data for this
Ligand-Target Pair