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BDBM50121402 CHEMBL3616772

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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=TVURACMVTMIOKS-IGXJDOPJSA-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 = 50121402   
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))		BDBM50121402
PNG
(CHEMBL3616772)
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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C193H303N49O60/c1-18-108(10)158(184(291)217-111(13)163(270)226-137(89-117-92-209-122-51-40-39-50-120(117)122)174(281)228-133(85-105(4)5)175(282)238-156(106(6)7)182(289)225-124(54-44-74-207-191(198)199)166(273)211-94-145(252)218-123(53-43-73-206-190(196)197)165(272)210-96-147(254)221-130(187(294)295)52-41-42-72-203-149(256)101-301-82-81-300-79-77-205-150(257)102-302-83-80-299-78-76-204-143(250)68-63-131(188(296)297)220-144(251)56-37-29-27-25-23-21-19-20-22-24-26-28-30-38-57-151(258)259)240-176(283)135(86-114-46-33-31-34-47-114)229-171(278)129(66-71-154(264)265)224-170(277)125(55-45-75-208-192(200)201)222-162(269)110(12)215-161(268)109(11)216-169(276)128(62-67-142(195)249)219-146(253)95-212-167(274)126(64-69-152(260)261)223-172(279)132(84-104(2)3)227-173(280)134(88-116-58-60-119(248)61-59-116)230-179(286)139(98-243)233-181(288)141(100-245)234-183(290)157(107(8)9)239-178(285)138(91-155(266)267)231-180(287)140(99-244)235-186(293)160(113(15)247)241-177(284)136(87-115-48-35-32-36-49-115)232-185(292)159(112(14)246)237-148(255)97-213-168(275)127(65-70-153(262)263)236-189(298)193(16,17)242-164(271)121(194)90-118-93-202-103-214-118/h31-36,39-40,46-51,58-61,92-93,103-113,121,123-141,156-160,209,243-248H,18-30,37-38,41-45,52-57,62-91,94-102,194H2,1-17H3,(H2,195,249)(H,202,214)(H,203,256)(H,204,250)(H,205,257)(H,210,272)(H,211,273)(H,212,274)(H,213,275)(H,215,268)(H,216,276)(H,217,291)(H,218,252)(H,219,253)(H,220,251)(H,221,254)(H,222,269)(H,223,279)(H,224,277)(H,225,289)(H,226,270)(H,227,280)(H,228,281)(H,229,278)(H,230,286)(H,231,287)(H,232,292)(H,233,288)(H,234,290)(H,235,293)(H,236,298)(H,237,255)(H,238,282)(H,239,285)(H,240,283)(H,241,284)(H,242,271)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,294,295)(H,296,297)(H4,196,197,206)(H4,198,199,207)(H4,200,201,208)/t108-,109-,110-,111-,112+,113+,121-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 30n/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))		BDBM50121402
PNG
(CHEMBL3616772)
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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C193H303N49O60/c1-18-108(10)158(184(291)217-111(13)163(270)226-137(89-117-92-209-122-51-40-39-50-120(117)122)174(281)228-133(85-105(4)5)175(282)238-156(106(6)7)182(289)225-124(54-44-74-207-191(198)199)166(273)211-94-145(252)218-123(53-43-73-206-190(196)197)165(272)210-96-147(254)221-130(187(294)295)52-41-42-72-203-149(256)101-301-82-81-300-79-77-205-150(257)102-302-83-80-299-78-76-204-143(250)68-63-131(188(296)297)220-144(251)56-37-29-27-25-23-21-19-20-22-24-26-28-30-38-57-151(258)259)240-176(283)135(86-114-46-33-31-34-47-114)229-171(278)129(66-71-154(264)265)224-170(277)125(55-45-75-208-192(200)201)222-162(269)110(12)215-161(268)109(11)216-169(276)128(62-67-142(195)249)219-146(253)95-212-167(274)126(64-69-152(260)261)223-172(279)132(84-104(2)3)227-173(280)134(88-116-58-60-119(248)61-59-116)230-179(286)139(98-243)233-181(288)141(100-245)234-183(290)157(107(8)9)239-178(285)138(91-155(266)267)231-180(287)140(99-244)235-186(293)160(113(15)247)241-177(284)136(87-115-48-35-32-36-49-115)232-185(292)159(112(14)246)237-148(255)97-213-168(275)127(65-70-153(262)263)236-189(298)193(16,17)242-164(271)121(194)90-118-93-202-103-214-118/h31-36,39-40,46-51,58-61,92-93,103-113,121,123-141,156-160,209,243-248H,18-30,37-38,41-45,52-57,62-91,94-102,194H2,1-17H3,(H2,195,249)(H,202,214)(H,203,256)(H,204,250)(H,205,257)(H,210,272)(H,211,273)(H,212,274)(H,213,275)(H,215,268)(H,216,276)(H,217,291)(H,218,252)(H,219,253)(H,220,251)(H,221,254)(H,222,269)(H,223,279)(H,224,277)(H,225,289)(H,226,270)(H,227,280)(H,228,281)(H,229,278)(H,230,286)(H,231,287)(H,232,292)(H,233,288)(H,234,290)(H,235,293)(H,236,298)(H,237,255)(H,238,282)(H,239,285)(H,240,283)(H,241,284)(H,242,271)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,294,295)(H,296,297)(H4,196,197,206)(H4,198,199,207)(H4,200,201,208)/t108-,109-,110-,111-,112+,113+,121-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,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 1.5n/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))		BDBM50121402
PNG
(CHEMBL3616772)
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](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C193H303N49O60/c1-18-108(10)158(184(291)217-111(13)163(270)226-137(89-117-92-209-122-51-40-39-50-120(117)122)174(281)228-133(85-105(4)5)175(282)238-156(106(6)7)182(289)225-124(54-44-74-207-191(198)199)166(273)211-94-145(252)218-123(53-43-73-206-190(196)197)165(272)210-96-147(254)221-130(187(294)295)52-41-42-72-203-149(256)101-301-82-81-300-79-77-205-150(257)102-302-83-80-299-78-76-204-143(250)68-63-131(188(296)297)220-144(251)56-37-29-27-25-23-21-19-20-22-24-26-28-30-38-57-151(258)259)240-176(283)135(86-114-46-33-31-34-47-114)229-171(278)129(66-71-154(264)265)224-170(277)125(55-45-75-208-192(200)201)222-162(269)110(12)215-161(268)109(11)216-169(276)128(62-67-142(195)249)219-146(253)95-212-167(274)126(64-69-152(260)261)223-172(279)132(84-104(2)3)227-173(280)134(88-116-58-60-119(248)61-59-116)230-179(286)139(98-243)233-181(288)141(100-245)234-183(290)157(107(8)9)239-178(285)138(91-155(266)267)231-180(287)140(99-244)235-186(293)160(113(15)247)241-177(284)136(87-115-48-35-32-36-49-115)232-185(292)159(112(14)246)237-148(255)97-213-168(275)127(65-70-153(262)263)236-189(298)193(16,17)242-164(271)121(194)90-118-93-202-103-214-118/h31-36,39-40,46-51,58-61,92-93,103-113,121,123-141,156-160,209,243-248H,18-30,37-38,41-45,52-57,62-91,94-102,194H2,1-17H3,(H2,195,249)(H,202,214)(H,203,256)(H,204,250)(H,205,257)(H,210,272)(H,211,273)(H,212,274)(H,213,275)(H,215,268)(H,216,276)(H,217,291)(H,218,252)(H,219,253)(H,220,251)(H,221,254)(H,222,269)(H,223,279)(H,224,277)(H,225,289)(H,226,270)(H,227,280)(H,228,281)(H,229,278)(H,230,286)(H,231,287)(H,232,292)(H,233,288)(H,234,290)(H,235,293)(H,236,298)(H,237,255)(H,238,282)(H,239,285)(H,240,283)(H,241,284)(H,242,271)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,294,295)(H,296,297)(H4,196,197,206)(H4,198,199,207)(H4,200,201,208)/t108-,109-,110-,111-,112+,113+,121-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.0900n/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