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BDBM50121403 CHEMBL3616769

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)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(C)(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](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](CCCCNC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(=O)NCC(O)=O

InChI Key: InChIKey=FKRJUKZBBSNZRT-SGMUBQKQNA-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 = 50121403   
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))
BDBM50121403
PNG
(CHEMBL3616769)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)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(C)(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](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](CCCCNC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1/C170H262N42O50/c1-18-93(10)138(164(259)189-96(13)143(238)196-120(76-102-79-181-107-50-40-39-49-105(102)107)154(249)198-116(72-90(4)5)155(250)208-136(91(6)7)162(257)195-109(52-43-69-179-168(173)174)146(241)182-81-127(221)190-108(145(240)185-84-135(234)235)51-41-42-68-178-126(220)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-130(224)225)210-156(251)118(73-99-45-33-31-34-46-99)199-151(246)114(63-67-133(230)231)194-150(245)110(53-44-70-180-169(175)176)192-142(237)95(12)187-141(236)94(11)188-149(244)113(60-64-125(172)219)191-128(222)82-183-147(242)111(61-65-131(226)227)193-152(247)115(71-89(2)3)197-153(248)117(75-101-56-58-104(218)59-57-101)200-159(254)122(85-213)203-161(256)124(87-215)204-163(258)137(92(8)9)209-158(253)121(78-134(232)233)201-160(255)123(86-214)205-166(261)140(98(15)217)211-157(252)119(74-100-47-35-32-36-48-100)202-165(260)139(97(14)216)207-129(223)83-184-148(243)112(62-66-132(228)229)206-167(262)170(16,17)212-144(239)106(171)77-103-80-177-88-186-103/h31-36,39-40,45-50,56-59,79-80,88-98,106,108-124,136-140,181,213-218H,18-30,37-38,41-44,51-55,60-78,81-87,171H2,1-17H3,(H2,172,219)(H,177,186)(H,178,220)(H,182,241)(H,183,242)(H,184,243)(H,185,240)(H,187,236)(H,188,244)(H,189,259)(H,190,221)(H,191,222)(H,192,237)(H,193,247)(H,194,245)(H,195,257)(H,196,238)(H,197,248)(H,198,249)(H,199,246)(H,200,254)(H,201,255)(H,202,260)(H,203,256)(H,204,258)(H,205,261)(H,206,262)(H,207,223)(H,208,250)(H,209,253)(H,210,251)(H,211,252)(H,212,239)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H4,173,174,179)(H4,175,176,180)/t93-,94-,95-,96-,97+,98+,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,136-,137-,138-,139-,140-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 159n/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)


Article DOI: 10.1021/acs.jmedchem.5b00726
BindingDB Entry DOI: 10.7270/Q2TX3H6D
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50121403
PNG
(CHEMBL3616769)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)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(C)(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](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](CCCCNC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1/C170H262N42O50/c1-18-93(10)138(164(259)189-96(13)143(238)196-120(76-102-79-181-107-50-40-39-49-105(102)107)154(249)198-116(72-90(4)5)155(250)208-136(91(6)7)162(257)195-109(52-43-69-179-168(173)174)146(241)182-81-127(221)190-108(145(240)185-84-135(234)235)51-41-42-68-178-126(220)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-130(224)225)210-156(251)118(73-99-45-33-31-34-46-99)199-151(246)114(63-67-133(230)231)194-150(245)110(53-44-70-180-169(175)176)192-142(237)95(12)187-141(236)94(11)188-149(244)113(60-64-125(172)219)191-128(222)82-183-147(242)111(61-65-131(226)227)193-152(247)115(71-89(2)3)197-153(248)117(75-101-56-58-104(218)59-57-101)200-159(254)122(85-213)203-161(256)124(87-215)204-163(258)137(92(8)9)209-158(253)121(78-134(232)233)201-160(255)123(86-214)205-166(261)140(98(15)217)211-157(252)119(74-100-47-35-32-36-48-100)202-165(260)139(97(14)216)207-129(223)83-184-148(243)112(62-66-132(228)229)206-167(262)170(16,17)212-144(239)106(171)77-103-80-177-88-186-103/h31-36,39-40,45-50,56-59,79-80,88-98,106,108-124,136-140,181,213-218H,18-30,37-38,41-44,51-55,60-78,81-87,171H2,1-17H3,(H2,172,219)(H,177,186)(H,178,220)(H,182,241)(H,183,242)(H,184,243)(H,185,240)(H,187,236)(H,188,244)(H,189,259)(H,190,221)(H,191,222)(H,192,237)(H,193,247)(H,194,245)(H,195,257)(H,196,238)(H,197,248)(H,198,249)(H,199,246)(H,200,254)(H,201,255)(H,202,260)(H,203,256)(H,204,258)(H,205,261)(H,206,262)(H,207,223)(H,208,250)(H,209,253)(H,210,251)(H,211,252)(H,212,239)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H4,173,174,179)(H4,175,176,180)/t93-,94-,95-,96-,97+,98+,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,136-,137-,138-,139-,140-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.520n/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)


Article DOI: 10.1021/acs.jmedchem.5b00726
BindingDB Entry DOI: 10.7270/Q2TX3H6D
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50121403
PNG
(CHEMBL3616769)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)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(C)(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](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](CCCCNC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1/C170H262N42O50/c1-18-93(10)138(164(259)189-96(13)143(238)196-120(76-102-79-181-107-50-40-39-49-105(102)107)154(249)198-116(72-90(4)5)155(250)208-136(91(6)7)162(257)195-109(52-43-69-179-168(173)174)146(241)182-81-127(221)190-108(145(240)185-84-135(234)235)51-41-42-68-178-126(220)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-130(224)225)210-156(251)118(73-99-45-33-31-34-46-99)199-151(246)114(63-67-133(230)231)194-150(245)110(53-44-70-180-169(175)176)192-142(237)95(12)187-141(236)94(11)188-149(244)113(60-64-125(172)219)191-128(222)82-183-147(242)111(61-65-131(226)227)193-152(247)115(71-89(2)3)197-153(248)117(75-101-56-58-104(218)59-57-101)200-159(254)122(85-213)203-161(256)124(87-215)204-163(258)137(92(8)9)209-158(253)121(78-134(232)233)201-160(255)123(86-214)205-166(261)140(98(15)217)211-157(252)119(74-100-47-35-32-36-48-100)202-165(260)139(97(14)216)207-129(223)83-184-148(243)112(62-66-132(228)229)206-167(262)170(16,17)212-144(239)106(171)77-103-80-177-88-186-103/h31-36,39-40,45-50,56-59,79-80,88-98,106,108-124,136-140,181,213-218H,18-30,37-38,41-44,51-55,60-78,81-87,171H2,1-17H3,(H2,172,219)(H,177,186)(H,178,220)(H,182,241)(H,183,242)(H,184,243)(H,185,240)(H,187,236)(H,188,244)(H,189,259)(H,190,221)(H,191,222)(H,192,237)(H,193,247)(H,194,245)(H,195,257)(H,196,238)(H,197,248)(H,198,249)(H,199,246)(H,200,254)(H,201,255)(H,202,260)(H,203,256)(H,204,258)(H,205,261)(H,206,262)(H,207,223)(H,208,250)(H,209,253)(H,210,251)(H,211,252)(H,212,239)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H4,173,174,179)(H4,175,176,180)/t93-,94-,95-,96-,97+,98+,106-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,136-,137-,138-,139-,140-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/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)


Article DOI: 10.1021/acs.jmedchem.5b00726
BindingDB Entry DOI: 10.7270/Q2TX3H6D
More data for this
Ligand-Target Pair