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BDBM50121405 CHEMBL3616767

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

InChI Key: InChIKey=VNMDNXJEFAKJIJ-SQNWJCOFSA-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 = 50121405   
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))		BDBM50121405
PNG
(CHEMBL3616767)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=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](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C191H300N44O59/c1-18-109(10)158(185(285)210-112(13)163(263)219-138(91-118-94-203-123-53-40-39-52-121(118)123)175(275)221-134(87-106(4)5)176(276)231-156(107(6)7)183(283)218-125(54-41-44-74-192)166(266)204-96-146(245)211-124(57-47-77-202-190(196)197)165(265)206-98-155(259)260)233-177(277)136(88-115-48-33-31-34-49-115)222-172(272)131(68-73-153(255)256)216-169(269)126(55-42-45-75-193)213-162(262)111(12)208-161(261)110(11)209-168(268)129(64-69-143(195)242)215-170(270)127(56-43-46-76-199-148(247)102-293-84-83-292-81-79-201-149(248)103-294-85-82-291-80-78-200-144(243)70-65-132(188(288)289)212-145(244)58-37-29-27-25-23-21-19-20-22-24-26-28-30-38-59-150(249)250)214-171(271)130(67-72-152(253)254)217-173(273)133(86-105(2)3)220-174(274)135(90-117-60-62-120(241)63-61-117)223-180(280)140(99-236)226-182(282)142(101-238)227-184(284)157(108(8)9)232-179(279)139(93-154(257)258)224-181(281)141(100-237)228-187(287)160(114(15)240)234-178(278)137(89-116-50-35-32-36-51-116)225-186(286)159(113(14)239)230-147(246)97-205-167(267)128(66-71-151(251)252)229-189(290)191(16,17)235-164(264)122(194)92-119-95-198-104-207-119/h31-36,39-40,48-53,60-63,94-95,104-114,122,124-142,156-160,203,236-241H,18-30,37-38,41-47,54-59,64-93,96-103,192-194H2,1-17H3,(H2,195,242)(H,198,207)(H,199,247)(H,200,243)(H,201,248)(H,204,266)(H,205,267)(H,206,265)(H,208,261)(H,209,268)(H,210,285)(H,211,245)(H,212,244)(H,213,262)(H,214,271)(H,215,270)(H,216,269)(H,217,273)(H,218,283)(H,219,263)(H,220,274)(H,221,275)(H,222,272)(H,223,280)(H,224,281)(H,225,286)(H,226,282)(H,227,284)(H,228,287)(H,229,290)(H,230,246)(H,231,276)(H,232,279)(H,233,277)(H,234,278)(H,235,264)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,288,289)(H4,196,197,202)/t109-,110-,111-,112-,113+,114+,122-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,156-,157-,158-,159-,160-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 2.70n/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))		BDBM50121405
PNG
(CHEMBL3616767)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=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](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C191H300N44O59/c1-18-109(10)158(185(285)210-112(13)163(263)219-138(91-118-94-203-123-53-40-39-52-121(118)123)175(275)221-134(87-106(4)5)176(276)231-156(107(6)7)183(283)218-125(54-41-44-74-192)166(266)204-96-146(245)211-124(57-47-77-202-190(196)197)165(265)206-98-155(259)260)233-177(277)136(88-115-48-33-31-34-49-115)222-172(272)131(68-73-153(255)256)216-169(269)126(55-42-45-75-193)213-162(262)111(12)208-161(261)110(11)209-168(268)129(64-69-143(195)242)215-170(270)127(56-43-46-76-199-148(247)102-293-84-83-292-81-79-201-149(248)103-294-85-82-291-80-78-200-144(243)70-65-132(188(288)289)212-145(244)58-37-29-27-25-23-21-19-20-22-24-26-28-30-38-59-150(249)250)214-171(271)130(67-72-152(253)254)217-173(273)133(86-105(2)3)220-174(274)135(90-117-60-62-120(241)63-61-117)223-180(280)140(99-236)226-182(282)142(101-238)227-184(284)157(108(8)9)232-179(279)139(93-154(257)258)224-181(281)141(100-237)228-187(287)160(114(15)240)234-178(278)137(89-116-50-35-32-36-51-116)225-186(286)159(113(14)239)230-147(246)97-205-167(267)128(66-71-151(251)252)229-189(290)191(16,17)235-164(264)122(194)92-119-95-198-104-207-119/h31-36,39-40,48-53,60-63,94-95,104-114,122,124-142,156-160,203,236-241H,18-30,37-38,41-47,54-59,64-93,96-103,192-194H2,1-17H3,(H2,195,242)(H,198,207)(H,199,247)(H,200,243)(H,201,248)(H,204,266)(H,205,267)(H,206,265)(H,208,261)(H,209,268)(H,210,285)(H,211,245)(H,212,244)(H,213,262)(H,214,271)(H,215,270)(H,216,269)(H,217,273)(H,218,283)(H,219,263)(H,220,274)(H,221,275)(H,222,272)(H,223,280)(H,224,281)(H,225,286)(H,226,282)(H,227,284)(H,228,287)(H,229,290)(H,230,246)(H,231,276)(H,232,279)(H,233,277)(H,234,278)(H,235,264)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,288,289)(H4,196,197,202)/t109-,110-,111-,112-,113+,114+,122-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,156-,157-,158-,159-,160-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.0600n/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
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50121405
PNG
(CHEMBL3616767)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=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](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C191H300N44O59/c1-18-109(10)158(185(285)210-112(13)163(263)219-138(91-118-94-203-123-53-40-39-52-121(118)123)175(275)221-134(87-106(4)5)176(276)231-156(107(6)7)183(283)218-125(54-41-44-74-192)166(266)204-96-146(245)211-124(57-47-77-202-190(196)197)165(265)206-98-155(259)260)233-177(277)136(88-115-48-33-31-34-49-115)222-172(272)131(68-73-153(255)256)216-169(269)126(55-42-45-75-193)213-162(262)111(12)208-161(261)110(11)209-168(268)129(64-69-143(195)242)215-170(270)127(56-43-46-76-199-148(247)102-293-84-83-292-81-79-201-149(248)103-294-85-82-291-80-78-200-144(243)70-65-132(188(288)289)212-145(244)58-37-29-27-25-23-21-19-20-22-24-26-28-30-38-59-150(249)250)214-171(271)130(67-72-152(253)254)217-173(273)133(86-105(2)3)220-174(274)135(90-117-60-62-120(241)63-61-117)223-180(280)140(99-236)226-182(282)142(101-238)227-184(284)157(108(8)9)232-179(279)139(93-154(257)258)224-181(281)141(100-237)228-187(287)160(114(15)240)234-178(278)137(89-116-50-35-32-36-51-116)225-186(286)159(113(14)239)230-147(246)97-205-167(267)128(66-71-151(251)252)229-189(290)191(16,17)235-164(264)122(194)92-119-95-198-104-207-119/h31-36,39-40,48-53,60-63,94-95,104-114,122,124-142,156-160,203,236-241H,18-30,37-38,41-47,54-59,64-93,96-103,192-194H2,1-17H3,(H2,195,242)(H,198,207)(H,199,247)(H,200,243)(H,201,248)(H,204,266)(H,205,267)(H,206,265)(H,208,261)(H,209,268)(H,210,285)(H,211,245)(H,212,244)(H,213,262)(H,214,271)(H,215,270)(H,216,269)(H,217,273)(H,218,283)(H,219,263)(H,220,274)(H,221,275)(H,222,272)(H,223,280)(H,224,281)(H,225,286)(H,226,282)(H,227,284)(H,228,287)(H,229,290)(H,230,246)(H,231,276)(H,232,279)(H,233,277)(H,234,278)(H,235,264)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,288,289)(H4,196,197,202)/t109-,110-,111-,112-,113+,114+,122-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,156-,157-,158-,159-,160-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 18n/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