Found 134 hits with Last Name = 'véniant' and Initial = 'mm' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319660
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r| Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319665
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319664
((R,S)-2-((+/-)-exo-Bicyclo[2.2.1]heptan-2-ylamino)...)Show SMILES CC(C)C1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319666
((S)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 27.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319667
((R)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319668
((R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 47.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319659
(2-(bicyclo[2.2.1]heptan-2-ylamino)-5-isopropylthia...)Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319661
((R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)c1sc(N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1O |r| Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 227 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319660
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r| Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 329 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319661
((R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)c1sc(N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1O |r| Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50241203
(CHEMBL414357 | HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGS...)Show SMILES [H][C@](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261508
(CHEMBL525934 | [Gly8,Glu22]GLP-1(7,37)-NH2)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](CCC(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)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[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/C153H230N40O49/c1-16-78(10)123(150(240)170-81(13)128(218)179-106(61-87-64-162-92-35-24-23-34-90(87)92)140(230)181-102(57-75(4)5)141(231)190-121(76(6)7)148(238)178-94(36-25-27-53-154)131(221)164-67-113(202)171-93(38-29-55-161-153(158)159)130(220)166-69-120(214)215)192-142(232)104(58-84-30-19-17-20-31-84)182-137(227)100(47-52-118(210)211)175-134(224)95(37-26-28-54-155)173-127(217)80(12)168-126(216)79(11)169-133(223)97(43-48-111(157)200)174-135(225)98(45-50-116(206)207)176-136(226)99(46-51-117(208)209)177-138(228)101(56-74(2)3)180-139(229)103(60-86-39-41-89(199)42-40-86)183-145(235)108(70-194)186-147(237)110(72-196)187-149(239)122(77(8)9)191-144(234)107(63-119(212)213)184-146(236)109(71-195)188-152(242)125(83(15)198)193-143(233)105(59-85-32-21-18-22-33-85)185-151(241)124(82(14)197)189-114(203)68-165-132(222)96(44-49-115(204)205)172-112(201)66-163-129(219)91(156)62-88-65-160-73-167-88/h17-24,30-35,39-42,64-65,73-83,91,93-110,121-125,162,194-199H,16,25-29,36-38,43-63,66-72,154-156H2,1-15H3,(H2,157,200)(H,160,167)(H,163,219)(H,164,221)(H,165,222)(H,166,220)(H,168,216)(H,169,223)(H,170,240)(H,171,202)(H,172,201)(H,173,217)(H,174,225)(H,175,224)(H,176,226)(H,177,228)(H,178,238)(H,179,218)(H,180,229)(H,181,230)(H,182,227)(H,183,235)(H,184,236)(H,185,241)(H,186,237)(H,187,239)(H,188,242)(H,189,203)(H,190,231)(H,191,234)(H,192,232)(H,193,233)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,158,159,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-,125-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261506
(CHEMBL499930 | HAEGTFTSDVSSYLEGQAAKEFIAWLVKGRG-NH2)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)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)Cc1cnc[nH]1)[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(N)=O |r| Show InChI InChI=1S/C151H229N41O46/c1-17-77(10)121(148(236)170-81(14)127(215)178-105(60-87-63-161-92-36-25-24-35-90(87)92)138(226)180-101(56-74(4)5)139(227)189-119(75(6)7)146(234)177-94(37-26-28-52-152)130(218)163-66-112(201)171-93(39-30-54-160-151(157)158)129(217)162-65-111(156)200)191-140(228)103(57-84-31-20-18-21-32-84)181-135(223)99(47-51-117(208)209)176-134(222)95(38-27-29-53-153)173-125(213)79(12)167-124(212)78(11)169-133(221)98(44-48-110(155)199)172-113(202)67-164-132(220)97(46-50-116(206)207)175-136(224)100(55-73(2)3)179-137(225)102(59-86-40-42-89(198)43-41-86)182-143(231)107(69-193)185-145(233)109(71-195)186-147(235)120(76(8)9)190-142(230)106(62-118(210)211)183-144(232)108(70-194)187-150(238)123(83(16)197)192-141(229)104(58-85-33-22-19-23-34-85)184-149(237)122(82(15)196)188-114(203)68-165-131(219)96(45-49-115(204)205)174-126(214)80(13)168-128(216)91(154)61-88-64-159-72-166-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,161,193-198H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,199)(H2,156,200)(H,159,166)(H,162,217)(H,163,218)(H,164,220)(H,165,219)(H,167,212)(H,168,216)(H,169,221)(H,170,236)(H,171,201)(H,172,202)(H,173,213)(H,174,214)(H,175,224)(H,176,222)(H,177,234)(H,178,215)(H,179,225)(H,180,226)(H,181,223)(H,182,231)(H,183,232)(H,184,237)(H,185,233)(H,186,235)(H,187,238)(H,188,203)(H,189,227)(H,190,230)(H,191,228)(H,192,229)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,160)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261516
(CHEMBL499133 | c[Glu23-Lys27][Gly8]GLP-1(7-37)-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)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](CCCN=C(N)N)C(=O)NCC(N)=O |r,wU:132.135,119.127,111.114,140.145,96.98,143.148,82.88,72.76,46.51,37.43,152.156,162.166,8.16,2.2,174.179,193.199,208.214,wD:100.110,90.94,78.80,66.70,54.64,29.30,19.19,4.4,179.183,201.207,221.227,157.161,(65.14,10.31,;63.81,11.08,;63.81,12.62,;65.14,13.39,;62.48,13.39,;61.15,12.62,;61.15,11.08,;62.48,10.31,;59.81,10.31,;58.49,11.08,;58.49,12.62,;59.83,13.39,;59.82,14.93,;58.5,15.69,;57.17,14.92,;57.16,13.38,;59.81,8.77,;58.49,8,;57.15,8.77,;58.49,6.46,;59.82,5.68,;61.15,6.45,;62.5,5.67,;63.82,6.44,;65.16,5.66,;53.9,-7.99,;54.14,-9.51,;52.6,-7.17,;51.24,-7.88,;49.92,-7.01,;48.55,-7.71,;48.55,-9.25,;49.88,-10.02,;47.21,-10.02,;45.89,-9.25,;44.55,-10.02,;44.55,-11.55,;43.22,-9.25,;43.22,-7.71,;41.89,-6.94,;41.89,-5.4,;43.22,-4.63,;40.56,-4.63,;41.89,-10.02,;41.89,-11.55,;43.22,-12.32,;40.56,-12.32,;39.22,-11.55,;39.22,-10.02,;37.9,-9.25,;40.56,-9.25,;40.56,-13.86,;39.22,-14.63,;37.9,-13.86,;39.22,-16.17,;40.56,-16.94,;41.89,-16.17,;41.88,-14.62,;43.22,-13.86,;44.55,-14.66,;45.89,-13.89,;44.54,-16.18,;43.21,-16.94,;37.9,-16.94,;37.9,-18.47,;39.22,-19.24,;36.56,-19.24,;36.56,-20.78,;37.9,-21.55,;35.22,-18.47,;33.9,-19.24,;33.9,-20.78,;32.56,-18.47,;32.56,-16.94,;33.9,-16.17,;31.23,-19.24,;29.9,-18.47,;29.9,-16.94,;28.57,-19.24,;27.23,-18.47,;25.91,-19.24,;25.91,-20.78,;24.57,-18.47,;24.57,-16.94,;25.91,-16.17,;27.23,-16.94,;25.91,-14.63,;23.24,-19.24,;21.91,-18.47,;21.91,-16.94,;20.57,-19.24,;20.57,-20.78,;21.91,-21.55,;19.24,-18.47,;17.91,-19.24,;17.91,-20.78,;16.58,-18.47,;15.24,-19.24,;13.92,-18.47,;13.92,-16.94,;12.58,-19.24,;12.58,-20.78,;13.92,-21.55,;15.23,-20.77,;16.56,-21.54,;16.56,-23.09,;15.23,-23.86,;13.9,-23.08,;11.25,-18.47,;9.92,-19.24,;9.92,-20.78,;8.59,-18.47,;7.25,-19.24,;5.92,-18.47,;5.92,-16.94,;4.59,-19.24,;3.26,-18.47,;1.93,-19.24,;1.93,-20.78,;.59,-18.47,;.59,-16.94,;1.93,-16.17,;1.93,-14.63,;.59,-13.86,;3.26,-13.86,;-.74,-19.24,;-2.07,-18.47,;-2.07,-16.94,;-3.4,-19.24,;-4.74,-18.47,;-6.06,-19.24,;-6.06,-20.78,;-7.4,-18.47,;-8.73,-19.24,;-7.4,-16.94,;-6.06,-16.17,;-5.9,-14.62,;-4.39,-14.31,;-3.63,-15.65,;-4.66,-16.79,;8.59,-16.94,;7.25,-16.17,;9.92,-16.17,;16.58,-16.94,;15.24,-16.17,;17.91,-16.17,;28.57,-20.78,;29.9,-21.55,;27.23,-21.55,;50.02,-5.5,;48.73,-4.65,;51.37,-4.81,;51.44,-3.26,;50.14,-2.43,;52.8,-2.58,;54.07,-3.41,;52.87,-1.04,;54.25,-.29,;55.61,-1.13,;54.3,1.22,;53.01,2.06,;55.65,1.92,;55.73,3.47,;54.43,4.3,;54.43,5.84,;53.1,6.61,;53.1,8.15,;51.77,8.92,;57.11,4.2,;55.77,4.97,;57.15,5.69,;62.48,14.92,;61.15,15.69,;63.81,15.69,;63.81,17.23,;62.48,18,;65.14,18,;66.48,17.23,;65.14,19.54,;66.48,20.31,;67.81,19.54,;69.1,20.38,;69.16,21.91,;70.64,22.33,;71.5,21.05,;73.02,20.83,;73.6,19.4,;72.64,18.18,;71.12,18.41,;70.55,19.83,;66.48,21.84,;65.14,22.61,;67.81,22.61,;67.81,24.15,;66.48,24.92,;66.48,26.46,;65.14,27.23,;67.81,27.23,;69.14,24.92,;69.14,26.46,;70.48,24.15,;71.8,24.92,;73.14,24.15,;74.47,24.92,;73.14,22.61,;71.8,26.46,;70.48,27.23,;73.14,27.23,;73.14,28.76,;71.8,29.53,;70.48,28.76,;69.14,29.53,;67.81,28.76,;66.48,29.53,;74.47,29.53,;74.47,31.07,;75.8,28.76,;77.13,29.53,;78.47,28.76,;78.47,27.23,;79.79,29.53,;81.13,28.76,;81.13,27.23,;82.47,26.46,;82.47,24.92,;83.79,24.15,;83.79,22.61,;82.47,21.84,;85.13,21.84,;82.47,29.53,;82.47,31.07,;83.79,28.76,;85.13,29.53,;86.46,28.76,;87.79,29.53,;86.46,27.23,)| Show InChI InChI=1S/C151H229N41O44/c1-16-79(10)122(148(234)170-82(13)127(213)178-106(61-88-64-161-93-37-24-23-36-91(88)93)138(224)180-102(57-76(4)5)139(225)189-120(77(6)7)146(232)177-95(38-25-28-52-152)130(216)164-68-114(202)171-94(41-31-55-160-151(156)157)129(215)162-66-111(155)199)191-140(226)104(58-85-32-19-17-20-33-85)181-135(221)97-40-27-30-54-159-112(200)49-46-100(133(219)169-80(11)125(211)168-81(12)126(212)174-96(134(220)175-97)39-26-29-53-153)173-115(203)69-165-132(218)99(48-51-118(207)208)176-136(222)101(56-75(2)3)179-137(223)103(60-87-42-44-90(198)45-43-87)182-143(229)108(71-193)185-145(231)110(73-195)186-147(233)121(78(8)9)190-142(228)107(63-119(209)210)183-144(230)109(72-194)187-150(236)124(84(15)197)192-141(227)105(59-86-34-21-18-22-35-86)184-149(235)123(83(14)196)188-116(204)70-166-131(217)98(47-50-117(205)206)172-113(201)67-163-128(214)92(154)62-89-65-158-74-167-89/h17-24,32-37,42-45,64-65,74-84,92,94-110,120-124,161,193-198H,16,25-31,38-41,46-63,66-73,152-154H2,1-15H3,(H2,155,199)(H,158,167)(H,159,200)(H,162,215)(H,163,214)(H,164,216)(H,165,218)(H,166,217)(H,168,211)(H,169,219)(H,170,234)(H,171,202)(H,172,201)(H,173,203)(H,174,212)(H,175,220)(H,176,222)(H,177,232)(H,178,213)(H,179,223)(H,180,224)(H,181,221)(H,182,229)(H,183,230)(H,184,235)(H,185,231)(H,186,233)(H,187,236)(H,188,204)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,205,206)(H,207,208)(H,209,210)(H4,156,157,160)/t79-,80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261515
(CHEMBL524907 | c[Glu22-Lys26][Gly8]GLP-1(7-37)-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)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](CCCN=C(N)N)C(=O)NCC(N)=O |r,wU:105.115,2.2,179.184,101.103,77.81,8.16,148.153,198.204,213.219,51.56,42.48,87.93,145.150,wD:116.119,157.161,166.170,171.175,28.28,137.140,124.132,38.39,83.85,19.25,4.4,71.75,184.188,95.99,206.212,59.69,226.232,(36.02,-5.89,;36,-7.43,;34.66,-8.18,;33.34,-7.4,;34.65,-9.73,;35.96,-10.53,;37.31,-9.78,;37.32,-8.24,;38.63,-10.56,;38.62,-12.1,;37.28,-12.86,;35.94,-12.06,;34.61,-12.85,;34.61,-14.39,;35.93,-15.16,;37.28,-14.39,;39.97,-9.8,;41.31,-10.56,;41.3,-12.1,;42.65,-9.81,;42.67,-8.26,;41.34,-7.48,;41.36,-5.94,;42.66,-5.2,;40.03,-5.16,;43.97,-10.61,;45.31,-9.86,;45.33,-8.32,;46.64,-10.64,;47.98,-9.89,;49.31,-10.67,;49.29,-12.21,;50.8,-12.58,;51.44,-14.68,;38.15,-23.47,;37.54,-24.94,;37.35,-22.04,;35.92,-21.5,;35.88,-19.78,;34.54,-19.01,;34.52,-20.55,;34.51,-22.09,;33.19,-19.77,;33.21,-18.23,;31.88,-17.45,;31.9,-15.9,;33.24,-15.15,;30.57,-15.12,;31.85,-20.52,;31.84,-22.06,;33.16,-22.85,;30.5,-22.82,;29.17,-22.04,;29.19,-20.5,;27.87,-19.72,;30.53,-19.74,;30.48,-24.36,;29.14,-25.12,;27.81,-24.33,;29.12,-26.66,;30.45,-27.44,;31.79,-26.68,;33.13,-27.47,;34.46,-26.72,;34.44,-25.14,;35.78,-24.39,;33.14,-24.4,;31.81,-25.16,;27.78,-27.41,;27.77,-28.95,;29.1,-29.74,;26.42,-29.71,;26.41,-31.25,;25.07,-32.02,;25.08,-28.95,;23.74,-29.71,;23.73,-31.25,;22.42,-28.93,;22.43,-27.38,;21.08,-26.62,;21.07,-29.68,;19.76,-28.87,;19.78,-27.33,;18.42,-29.63,;17.08,-28.87,;15.74,-29.62,;15.72,-31.17,;14.41,-28.84,;14.43,-27.3,;15.77,-26.54,;15.79,-25,;17.1,-27.33,;13.07,-29.6,;11.75,-28.82,;11.76,-27.28,;10.41,-29.58,;10.39,-31.12,;11.71,-31.9,;9.07,-28.81,;7.73,-29.56,;7.71,-31.1,;6.41,-28.78,;5.07,-29.53,;3.75,-28.74,;3.77,-27.19,;2.41,-29.49,;1.1,-28.71,;1.1,-27.17,;-.2,-26.42,;-.21,-24.86,;1.13,-24.11,;2.47,-24.89,;2.45,-26.43,;2.4,-31.03,;1.06,-31.79,;-.27,-31.01,;1.05,-33.33,;-.3,-34.09,;-.32,-35.63,;1.02,-36.41,;-1.64,-36.38,;-1.67,-37.92,;-3,-38.68,;-4.33,-37.9,;-3.02,-40.22,;-1.7,-41,;-.36,-40.25,;.97,-41.03,;2.27,-40.29,;.96,-42.57,;-4.37,-40.97,;-4.38,-42.52,;-3.05,-43.3,;-5.73,-43.27,;-5.74,-44.81,;-7.09,-45.56,;-8.41,-44.78,;-7.11,-47.11,;-8.44,-47.86,;-5.77,-47.89,;-4.43,-47.13,;-4.3,-45.6,;-2.73,-45.28,;-1.98,-46.61,;-3.02,-47.78,;2.36,-34.11,;2.35,-35.65,;3.71,-33.36,;6.43,-27.23,;7.76,-26.48,;5.09,-26.47,;18.41,-31.17,;17.06,-31.93,;19.73,-31.95,;37.22,-19.03,;37.23,-17.49,;38.54,-19.81,;39.89,-19.05,;41.36,-18.6,;42.14,-17.28,;43.68,-17.3,;43.62,-18.42,;44.46,-16.27,;39.9,-17.51,;38.45,-16.73,;40.08,-15.98,;41.55,-15.51,;40.22,-14.08,;42.6,-14.46,;42.61,-12.92,;43.92,-15.24,;45.27,-14.49,;46.59,-15.27,;45.28,-12.94,;43.95,-12.16,;46.62,-12.18,;33.31,-10.48,;33.29,-12.02,;31.97,-9.73,;30.63,-10.49,;30.62,-12.03,;29.31,-9.71,;29.32,-8.17,;27.96,-10.46,;26.65,-9.66,;26.66,-8.11,;25.33,-7.33,;23.85,-8.09,;22.82,-6.94,;23.6,-5.62,;23.12,-4.16,;24.15,-3.01,;25.65,-3.34,;26.13,-4.8,;25.1,-5.95,;25.3,-10.41,;25.28,-11.95,;23.97,-9.64,;22.62,-10.39,;22.61,-11.93,;21.27,-12.69,;21.26,-14.23,;19.94,-11.91,;21.3,-9.61,;19.95,-10.37,;21.3,-8.07,;19.98,-7.29,;19.99,-5.74,;18.67,-4.96,;21.34,-4.99,;18.64,-8.04,;18.62,-9.58,;17.31,-7.26,;15.97,-8.02,;15.95,-9.56,;17.28,-10.34,;17.27,-11.88,;18.59,-12.66,;18.57,-14.21,;14.64,-7.24,;13.3,-7.99,;14.65,-5.7,;13.33,-4.91,;13.34,-3.37,;14.68,-2.61,;12.01,-2.59,;12.03,-1.05,;13.37,-.3,;13.38,1.25,;14.72,2,;14.73,3.54,;16.07,4.29,;17.4,3.52,;16.09,5.83,;10.7,-.27,;9.36,-1.02,;10.71,1.27,;9.39,2.05,;9.4,3.59,;8.08,4.37,;10.74,4.35,)| Show InChI InChI=1S/C153H229N41O47/c1-16-78(10)123(150(239)171-81(13)128(217)180-106(61-87-64-163-92-35-24-23-34-90(87)92)140(229)182-102(57-75(4)5)141(230)191-121(76(6)7)148(237)179-94(36-25-27-53-154)131(220)166-68-115(205)172-93(38-29-55-162-153(158)159)130(219)164-66-112(157)202)193-142(231)104(58-84-30-19-17-20-31-84)183-137(226)100(47-52-119(211)212)177-134(223)95-37-26-28-54-161-113(203)49-44-98(135(224)175-97(43-48-111(156)201)133(222)170-79(11)126(215)169-80(12)127(216)174-95)176-136(225)99(46-51-118(209)210)178-138(227)101(56-74(2)3)181-139(228)103(60-86-39-41-89(200)42-40-86)184-145(234)108(70-195)187-147(236)110(72-197)188-149(238)122(77(8)9)192-144(233)107(63-120(213)214)185-146(235)109(71-196)189-152(241)125(83(15)199)194-143(232)105(59-85-32-21-18-22-33-85)186-151(240)124(82(14)198)190-116(206)69-167-132(221)96(45-50-117(207)208)173-114(204)67-165-129(218)91(155)62-88-65-160-73-168-88/h17-24,30-35,39-42,64-65,73-83,91,93-110,121-125,163,195-200H,16,25-29,36-38,43-63,66-72,154-155H2,1-15H3,(H2,156,201)(H2,157,202)(H,160,168)(H,161,203)(H,164,219)(H,165,218)(H,166,220)(H,167,221)(H,169,215)(H,170,222)(H,171,239)(H,172,205)(H,173,204)(H,174,216)(H,175,224)(H,176,225)(H,177,223)(H,178,227)(H,179,237)(H,180,217)(H,181,228)(H,182,229)(H,183,226)(H,184,234)(H,185,235)(H,186,240)(H,187,236)(H,188,238)(H,189,241)(H,190,206)(H,191,230)(H,192,233)(H,193,231)(H,194,232)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,158,159,162)/t78-,79-,80-,81-,82-,83-,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-,125-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261519
(CHEMBL527077 | c[Glu22-Lys26][Gly8]GLP-1(7-37)-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)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](CCCN=C(N)N)C(=O)NCC(N)=O |r,wU:105.115,148.153,95.99,83.85,71.75,42.48,157.161,166.170,8.16,2.2,179.184,198.204,213.219,145.150,wD:137.140,124.132,116.119,101.103,87.93,77.81,59.69,51.56,38.39,171.175,28.28,19.25,4.4,184.188,206.212,226.232,(21.01,-.2,;19.67,-.94,;18.34,-.15,;18.36,1.39,;16.99,-.9,;16.96,-2.45,;18.28,-3.24,;19.63,-2.48,;18.26,-4.79,;16.92,-5.54,;15.58,-4.74,;15.62,-3.18,;14.3,-2.4,;12.95,-3.15,;12.93,-4.68,;14.24,-5.48,;19.57,-5.57,;19.55,-7.12,;18.21,-7.87,;20.87,-7.91,;22.22,-7.16,;22.24,-5.62,;23.59,-4.87,;24.92,-5.66,;23.62,-3.34,;20.84,-9.46,;22.16,-10.25,;23.51,-9.49,;22.14,-11.79,;23.41,-10.93,;24.8,-11.61,;26.07,-10.75,;25.96,-9.22,;32.17,-22.62,;31.84,-24.11,;30.36,-24.58,;30.03,-26.07,;28.56,-26.54,;27.23,-25.74,;25.88,-26.5,;25.86,-28.03,;27.19,-28.83,;24.51,-28.79,;23.19,-28,;21.85,-28.75,;20.52,-27.96,;20.54,-26.41,;19.17,-28.7,;24.48,-30.32,;23.12,-31.08,;21.81,-30.29,;23.11,-32.61,;24.44,-33.4,;25.78,-32.66,;27.11,-33.46,;25.8,-31.12,;21.75,-33.37,;21.73,-34.9,;23.06,-35.69,;20.39,-35.64,;20.37,-37.19,;21.69,-37.98,;21.65,-39.52,;22.98,-40.31,;24.32,-39.56,;25.65,-40.35,;24.34,-38.02,;23.03,-37.22,;19.06,-34.85,;17.73,-35.58,;17.7,-37.14,;16.4,-34.79,;16.41,-33.27,;17.77,-32.51,;15.05,-35.54,;13.72,-34.74,;13.74,-33.22,;12.38,-35.49,;12.36,-37.05,;13.68,-37.83,;11.05,-34.7,;9.71,-35.47,;9.69,-37.01,;8.38,-34.66,;7.04,-35.41,;5.71,-34.62,;5.73,-33.09,;4.37,-35.37,;4.34,-36.91,;5.66,-37.7,;7,-36.95,;5.64,-39.25,;3.04,-34.57,;1.7,-35.31,;1.68,-36.86,;.37,-34.52,;.39,-32.99,;1.75,-32.23,;-.97,-35.28,;-2.3,-34.48,;-2.27,-32.94,;-3.64,-35.23,;-4.97,-34.43,;-6.31,-35.17,;-6.32,-36.72,;-7.64,-34.37,;-7.61,-32.85,;-6.25,-32.1,;-4.93,-32.89,;-3.6,-32.14,;-3.58,-30.6,;-4.9,-29.81,;-6.23,-30.55,;-8.98,-35.12,;-10.3,-34.32,;-10.27,-32.8,;-11.64,-35.08,;-12.97,-34.29,;-14.32,-35.03,;-14.34,-36.58,;-15.66,-34.23,;-17,-34.98,;-18.32,-34.2,;-18.31,-32.64,;-19.66,-34.93,;-19.68,-36.47,;-18.37,-37.26,;-18.39,-38.82,;-19.73,-39.57,;-17.08,-39.59,;-20.99,-34.14,;-22.33,-34.89,;-22.36,-36.44,;-23.65,-34.1,;-25.01,-34.85,;-26.32,-34.06,;-26.3,-32.51,;-27.69,-34.81,;-29.01,-34.02,;-27.69,-36.35,;-26.39,-37.12,;-26.25,-38.66,;-24.73,-39.01,;-23.96,-37.71,;-24.96,-36.53,;-11.66,-36.63,;-13.02,-37.38,;-10.33,-37.42,;-3.66,-36.77,;-5.01,-37.51,;-2.34,-37.55,;8.4,-33.13,;9.76,-32.36,;7.09,-32.34,;27.26,-24.21,;28.61,-23.46,;25.94,-23.43,;25.96,-21.87,;24.64,-21.09,;23.31,-21.84,;23.28,-23.37,;24.59,-24.16,;21.93,-24.13,;27.32,-21.13,;28.64,-21.92,;27.34,-19.59,;26.02,-18.8,;24.68,-19.55,;26.05,-17.25,;27.4,-16.5,;24.73,-16.47,;24.75,-14.91,;26.11,-14.16,;23.43,-14.13,;22.09,-14.88,;23.46,-12.58,;15.67,-.11,;14.33,-.86,;15.69,1.43,;14.37,2.22,;13.04,1.47,;14.39,3.77,;15.75,4.53,;13.07,4.56,;13.1,6.11,;14.45,6.87,;14.48,8.41,;13.25,9.33,;13.75,10.78,;15.29,10.75,;16.34,11.88,;17.85,11.53,;18.3,10.06,;17.25,8.93,;15.74,9.3,;11.78,6.9,;10.44,6.15,;11.8,8.45,;10.5,9.23,;9.16,8.49,;7.82,9.29,;6.48,8.53,;7.84,10.83,;10.51,10.79,;9.21,11.58,;11.87,11.53,;11.9,13.07,;13.23,13.84,;13.27,15.36,;14.57,13.03,;10.58,13.86,;9.23,13.12,;10.6,15.41,;9.29,16.2,;7.95,15.44,;7.92,13.91,;6.57,13.16,;6.54,11.63,;5.19,10.86,;9.3,17.75,;7.99,18.54,;10.66,18.49,;10.69,20.03,;12.02,20.79,;13.37,19.99,;12.06,22.33,;13.41,23.09,;14.73,22.27,;16.07,23.04,;17.4,22.24,;18.74,23,;20.07,22.19,;20.05,20.64,;21.41,22.94,;13.43,24.6,;12.11,25.39,;14.78,25.36,;14.82,26.91,;16.17,27.64,;16.19,29.19,;17.48,26.86,)| Show InChI InChI=1S/C153H229N41O47/c1-16-78(10)123(150(239)171-81(13)128(217)180-106(61-87-64-163-92-35-24-23-34-90(87)92)140(229)182-102(57-75(4)5)141(230)191-121(76(6)7)148(237)179-94(36-25-27-53-154)131(220)166-68-115(205)172-93(38-29-55-162-153(158)159)130(219)164-66-112(157)202)193-142(231)104(58-84-30-19-17-20-31-84)183-137(226)100(47-52-119(211)212)177-135(224)98-44-49-113(203)161-54-28-26-37-95(134(223)176-97(43-48-111(156)201)133(222)170-79(11)126(215)169-80(12)127(216)174-98)175-136(225)99(46-51-118(209)210)178-138(227)101(56-74(2)3)181-139(228)103(60-86-39-41-89(200)42-40-86)184-145(234)108(70-195)187-147(236)110(72-197)188-149(238)122(77(8)9)192-144(233)107(63-120(213)214)185-146(235)109(71-196)189-152(241)125(83(15)199)194-143(232)105(59-85-32-21-18-22-33-85)186-151(240)124(82(14)198)190-116(206)69-167-132(221)96(45-50-117(207)208)173-114(204)67-165-129(218)91(155)62-88-65-160-73-168-88/h17-24,30-35,39-42,64-65,73-83,91,93-110,121-125,163,195-200H,16,25-29,36-38,43-63,66-72,154-155H2,1-15H3,(H2,156,201)(H2,157,202)(H,160,168)(H,161,203)(H,164,219)(H,165,218)(H,166,220)(H,167,221)(H,169,215)(H,170,222)(H,171,239)(H,172,205)(H,173,204)(H,174,216)(H,175,225)(H,176,223)(H,177,224)(H,178,227)(H,179,237)(H,180,217)(H,181,228)(H,182,229)(H,183,226)(H,184,234)(H,185,235)(H,186,240)(H,187,236)(H,188,238)(H,189,241)(H,190,206)(H,191,230)(H,192,233)(H,193,231)(H,194,232)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,158,159,162)/t78-,79-,80-,81-,82-,83-,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-,125-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261507
(CHEMBL526685 | [Gly8]GLP-1(7-37)-NH2)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)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)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[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/C150H226N40O47/c1-16-77(10)121(147(235)168-80(13)126(214)176-104(59-86-62-159-91-35-24-23-34-89(86)91)137(225)178-100(55-74(4)5)138(226)187-119(75(6)7)145(233)175-93(36-25-27-51-151)129(217)161-65-111(199)169-92(38-29-53-158-150(155)156)128(216)164-68-118(210)211)189-139(227)102(56-83-30-19-17-20-31-83)179-134(222)98(46-50-116(206)207)174-133(221)94(37-26-28-52-152)172-125(213)79(12)166-124(212)78(11)167-132(220)97(43-47-109(154)197)171-112(200)66-162-131(219)96(45-49-115(204)205)173-135(223)99(54-73(2)3)177-136(224)101(58-85-39-41-88(196)42-40-85)180-142(230)106(69-191)183-144(232)108(71-193)184-146(234)120(76(8)9)188-141(229)105(61-117(208)209)181-143(231)107(70-192)185-149(237)123(82(15)195)190-140(228)103(57-84-32-21-18-22-33-84)182-148(236)122(81(14)194)186-113(201)67-163-130(218)95(44-48-114(202)203)170-110(198)64-160-127(215)90(153)60-87-63-157-72-165-87/h17-24,30-35,39-42,62-63,72-82,90,92-108,119-123,159,191-196H,16,25-29,36-38,43-61,64-71,151-153H2,1-15H3,(H2,154,197)(H,157,165)(H,160,215)(H,161,217)(H,162,219)(H,163,218)(H,164,216)(H,166,212)(H,167,220)(H,168,235)(H,169,199)(H,170,198)(H,171,200)(H,172,213)(H,173,223)(H,174,221)(H,175,233)(H,176,214)(H,177,224)(H,178,225)(H,179,222)(H,180,230)(H,181,231)(H,182,236)(H,183,232)(H,184,234)(H,185,237)(H,186,201)(H,187,226)(H,188,229)(H,189,227)(H,190,228)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,155,156,158)/t77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-,121-,122-,123-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261509
(CHEMBL499370 | [Gly8, aib22]GLP-1(7-37)-NH2)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(C)(C)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)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[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](CCCN=C(N)N)C(=O)NCC(N)=O |r,wU:47.53,37.38,19.25,4.4,182.185,157.160,204.209,107.113,136.139,97.101,165.170,144.152,79.89,121.123,168.173,62.68,wD:42.43,28.34,8.16,2.2,177.181,196.201,211.216,224.229,115.119,103.105,91.95,125.135,71.76,(74.54,-16.59,;73.91,-17.99,;74.81,-19.25,;76.34,-19.1,;74.17,-20.65,;72.64,-20.8,;71.75,-19.55,;72.38,-18.15,;70.21,-19.7,;69.58,-21.1,;70.48,-22.35,;72.01,-22.19,;72.91,-23.44,;72.28,-24.85,;70.74,-25,;69.85,-23.75,;69.32,-18.45,;67.79,-18.6,;67.15,-20,;66.89,-17.35,;67.52,-15.95,;69.06,-15.8,;69.69,-14.39,;68.79,-13.14,;71.22,-14.24,;65.36,-17.5,;64.57,-16.18,;65.31,-14.84,;63.03,-16.21,;62.28,-17.56,;63.08,-18.87,;62.33,-20.22,;63.13,-21.54,;62.38,-22.89,;62.23,-14.89,;60.7,-14.92,;59.95,-16.27,;59.9,-13.6,;60.65,-12.25,;58.37,-13.63,;57.57,-12.31,;58.32,-10.96,;56.03,-12.34,;55.28,-13.68,;55.23,-11.02,;53.7,-11.05,;52.96,-12.39,;52.9,-9.73,;53.65,-8.38,;55.19,-8.36,;55.94,-7.01,;55.14,-5.69,;57.47,-6.98,;51.37,-9.76,;50.07,-10.55,;50.09,-12.09,;48.71,-9.8,;49.46,-8.46,;47.96,-11.15,;47.37,-9.06,;46.04,-9.85,;46.07,-11.39,;44.69,-9.1,;44.67,-7.56,;45.98,-6.76,;45.96,-5.23,;44.61,-4.48,;47.28,-4.43,;43.37,-9.9,;42.03,-9.14,;41.99,-7.59,;40.7,-9.93,;40.74,-11.47,;42.08,-12.22,;42.1,-13.76,;43.38,-11.43,;39.35,-9.19,;38.02,-9.97,;38.05,-11.51,;36.67,-9.22,;36.65,-7.68,;37.96,-6.88,;39.32,-7.63,;40.65,-6.84,;40.62,-5.3,;41.95,-4.51,;39.26,-4.55,;37.94,-5.34,;35.36,-10.03,;34.02,-9.28,;33.99,-7.74,;32.7,-10.08,;32.72,-11.62,;34.09,-12.37,;31.36,-9.33,;30.03,-10.12,;30.06,-11.66,;28.7,-9.37,;28.66,-7.83,;30,-7.03,;27.38,-10.17,;26.03,-9.43,;26,-7.88,;24.71,-10.22,;23.37,-9.47,;22.04,-10.25,;22.08,-11.79,;20.71,-9.5,;20.69,-7.96,;22,-7.16,;23.34,-7.91,;21.97,-5.63,;19.39,-10.3,;18.04,-9.56,;18.02,-8.02,;16.73,-10.36,;16.75,-11.89,;18.12,-12.64,;15.39,-9.6,;14.07,-10.39,;14.09,-11.93,;12.71,-9.65,;11.4,-10.45,;10.06,-9.7,;10.02,-8.15,;8.73,-10.49,;8.77,-12.03,;10.1,-12.78,;11.42,-11.99,;12.79,-12.73,;12.81,-14.27,;11.49,-15.06,;10.13,-14.32,;7.39,-9.73,;6.06,-10.51,;6.08,-12.05,;4.7,-9.76,;3.4,-10.58,;2.05,-9.83,;2.01,-8.28,;.75,-10.62,;-.61,-9.88,;-1.94,-10.65,;-1.91,-12.19,;-3.27,-9.9,;-3.31,-8.36,;-1.99,-7.57,;-2.02,-6.03,;-3.36,-5.28,;-.69,-5.23,;-4.59,-10.71,;-5.93,-9.96,;-5.95,-8.41,;-7.23,-10.75,;-8.58,-10.01,;-9.92,-10.79,;-9.9,-12.33,;-11.27,-10.04,;-12.6,-10.83,;-11.3,-8.49,;-9.97,-7.7,;-9.83,-6.17,;-8.33,-5.83,;-7.54,-7.15,;-8.56,-8.31,;4.68,-8.22,;3.34,-7.47,;6.02,-7.43,;12.69,-8.1,;11.33,-7.35,;14.02,-7.32,;24.74,-11.76,;26.09,-12.51,;23.41,-12.55,;75.07,-21.9,;74.44,-23.3,;76.61,-21.75,;77.88,-22.61,;77.76,-24.15,;79.26,-21.94,;79.37,-20.41,;80.53,-22.8,;81.92,-22.13,;82.03,-20.6,;83.42,-19.93,;84.77,-20.64,;85.88,-19.58,;85.21,-18.19,;85.79,-16.77,;84.84,-15.55,;83.31,-15.77,;82.74,-17.19,;83.68,-18.41,;83.2,-23,;83.08,-24.53,;84.58,-22.33,;85.85,-23.19,;85.74,-24.72,;87.02,-25.59,;86.9,-27.12,;88.4,-24.92,;87.24,-22.52,;87.35,-20.98,;88.51,-23.38,;89.89,-22.71,;90.01,-21.18,;91.39,-20.51,;88.73,-20.31,;91.17,-23.58,;91.06,-25.11,;92.55,-22.9,;93.83,-23.77,;93.71,-25.3,;94.99,-26.17,;94.88,-27.7,;96.15,-28.56,;96.04,-30.1,;95.21,-23.1,;95.32,-21.56,;96.48,-23.96,;97.87,-23.29,;99.14,-24.15,;99.03,-25.69,;100.52,-23.48,;101.8,-24.35,;101.69,-25.88,;102.97,-26.74,;102.85,-28.28,;104.13,-29.14,;104.02,-30.68,;102.63,-31.34,;105.28,-31.54,;103.19,-23.67,;103.3,-22.14,;104.46,-24.54,;105.84,-23.87,;107.12,-24.73,;108.5,-24.06,;107.01,-26.27,)| Show InChI InChI=1S/C152H231N41O46/c1-18-78(10)121(147(236)170-81(13)126(215)177-105(61-87-64-162-92-37-26-25-36-90(87)92)136(225)179-101(57-75(4)5)137(226)189-119(76(6)7)145(234)176-94(38-27-29-53-153)129(218)165-68-113(203)171-93(40-31-55-161-151(158)159)128(217)163-66-111(157)201)191-138(227)103(58-84-32-21-19-22-33-84)180-133(222)97(47-51-116(207)208)174-132(221)95(39-28-30-54-154)173-125(214)80(12)168-124(213)79(11)169-131(220)98(45-49-110(156)200)187-150(239)152(16,17)193-144(233)99(48-52-117(209)210)175-134(223)100(56-74(2)3)178-135(224)102(60-86-41-43-89(199)44-42-86)181-141(230)107(70-194)184-143(232)109(72-196)185-146(235)120(77(8)9)190-140(229)106(63-118(211)212)182-142(231)108(71-195)186-149(238)123(83(15)198)192-139(228)104(59-85-34-23-20-24-35-85)183-148(237)122(82(14)197)188-114(204)69-166-130(219)96(46-50-115(205)206)172-112(202)67-164-127(216)91(155)62-88-65-160-73-167-88/h19-26,32-37,41-44,64-65,73-83,91,93-109,119-123,162,194-199H,18,27-31,38-40,45-63,66-72,153-155H2,1-17H3,(H2,156,200)(H2,157,201)(H,160,167)(H,163,217)(H,164,216)(H,165,218)(H,166,219)(H,168,213)(H,169,220)(H,170,236)(H,171,203)(H,172,202)(H,173,214)(H,174,221)(H,175,223)(H,176,234)(H,177,215)(H,178,224)(H,179,225)(H,180,222)(H,181,230)(H,182,231)(H,183,237)(H,184,232)(H,185,235)(H,186,238)(H,187,239)(H,188,204)(H,189,226)(H,190,229)(H,191,227)(H,192,228)(H,193,233)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,158,159,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261510
(CHEMBL499208 | c[Glu18-Lys22][Gly8]GLP-1(7-37)-NH2)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]1CCCCNC(=O)CC[C@H](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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)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(N)=O |r| Show InChI InChI=1S/C156H236N42O46/c1-16-81(10)126(153(242)175-84(13)131(220)185-110(65-90-68-167-95-37-24-23-36-93(90)95)144(233)187-106(61-78(4)5)145(234)195-124(79(6)7)151(240)184-97(38-25-28-56-157)134(223)170-72-118(208)176-96(41-31-59-166-156(162)163)133(222)168-70-115(161)205)197-146(235)108(62-87-32-19-17-20-33-87)189-141(230)104(50-55-122(214)215)181-137(226)98(39-26-29-57-158)178-130(219)83(12)173-129(218)82(11)174-136(225)101(46-51-114(160)204)180-138(227)99-40-27-30-58-165-116(206)52-47-102(140(229)188-107(64-89-42-44-92(203)45-43-89)143(232)186-105(60-77(2)3)142(231)182-103(139(228)179-99)49-54-121(212)213)183-149(238)112(74-199)192-152(241)125(80(8)9)196-148(237)111(67-123(216)217)190-150(239)113(75-200)193-155(244)128(86(15)202)198-147(236)109(63-88-34-21-18-22-35-88)191-154(243)127(85(14)201)194-119(209)73-171-135(224)100(48-53-120(210)211)177-117(207)71-169-132(221)94(159)66-91-69-164-76-172-91/h17-24,32-37,42-45,68-69,76-86,94,96-113,124-128,167,199-203H,16,25-31,38-41,46-67,70-75,157-159H2,1-15H3,(H2,160,204)(H2,161,205)(H,164,172)(H,165,206)(H,168,222)(H,169,221)(H,170,223)(H,171,224)(H,173,218)(H,174,225)(H,175,242)(H,176,208)(H,177,207)(H,178,219)(H,179,228)(H,180,227)(H,181,226)(H,182,231)(H,183,238)(H,184,240)(H,185,220)(H,186,232)(H,187,233)(H,188,229)(H,189,230)(H,190,239)(H,191,243)(H,192,241)(H,193,244)(H,194,209)(H,195,234)(H,196,237)(H,197,235)(H,198,236)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,162,163,166)/t81-,82-,83-,84-,85+,86+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,124-,125-,126-,127-,128-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446517
(CHEMBL3110092)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261522
(CHEMBL507645 | c[hGlu22-Lys26][Gly8]GLP-1(7-37)-NH...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)CCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)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(N)=O |r| Show InChI InChI=1S/C154H231N41O47/c1-16-79(10)124(151(240)172-82(13)129(218)181-107(62-88-65-164-93-36-24-23-35-91(88)93)141(230)183-103(58-76(4)5)142(231)192-122(77(6)7)149(238)180-95(37-25-27-54-155)132(221)167-69-116(206)173-94(40-30-56-163-154(159)160)131(220)165-67-113(158)203)194-143(232)105(59-85-31-19-17-20-32-85)184-138(227)101(49-53-120(212)213)178-135(224)96-38-26-28-55-162-114(204)41-29-39-97(136(225)177-99(46-50-112(157)202)134(223)171-80(11)127(216)170-81(12)128(217)175-96)176-137(226)100(48-52-119(210)211)179-139(228)102(57-75(2)3)182-140(229)104(61-87-42-44-90(201)45-43-87)185-146(235)109(71-196)188-148(237)111(73-198)189-150(239)123(78(8)9)193-145(234)108(64-121(214)215)186-147(236)110(72-197)190-153(242)126(84(15)200)195-144(233)106(60-86-33-21-18-22-34-86)187-152(241)125(83(14)199)191-117(207)70-168-133(222)98(47-51-118(208)209)174-115(205)68-166-130(219)92(156)63-89-66-161-74-169-89/h17-24,31-36,42-45,65-66,74-84,92,94-111,122-126,164,196-201H,16,25-30,37-41,46-64,67-73,155-156H2,1-15H3,(H2,157,202)(H2,158,203)(H,161,169)(H,162,204)(H,165,220)(H,166,219)(H,167,221)(H,168,222)(H,170,216)(H,171,223)(H,172,240)(H,173,206)(H,174,205)(H,175,217)(H,176,226)(H,177,225)(H,178,224)(H,179,228)(H,180,238)(H,181,218)(H,182,229)(H,183,230)(H,184,227)(H,185,235)(H,186,236)(H,187,241)(H,188,237)(H,189,239)(H,190,242)(H,191,207)(H,192,231)(H,193,234)(H,194,232)(H,195,233)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,159,160,163)/t79-,80-,81-,82-,83-,84-,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-,126-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261520
(CHEMBL526730 | c[Glu22-Orn26][Gly8]GLP-1(7-37)-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)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(N)=O |r| Show InChI InChI=1S/C152H227N41O47/c1-16-77(10)122(149(238)170-80(13)127(216)179-105(60-86-63-162-91-34-24-23-33-89(86)91)139(228)181-101(56-74(4)5)140(229)190-120(75(6)7)147(236)178-93(35-25-26-52-153)130(219)165-67-114(204)171-92(36-28-54-161-152(157)158)129(218)163-65-111(156)201)192-141(230)103(57-83-29-19-17-20-30-83)182-136(225)99(46-51-118(210)211)176-133(222)94-37-27-53-160-112(202)48-43-97(134(223)174-96(42-47-110(155)200)132(221)169-78(11)125(214)168-79(12)126(215)173-94)175-135(224)98(45-50-117(208)209)177-137(226)100(55-73(2)3)180-138(227)102(59-85-38-40-88(199)41-39-85)183-144(233)107(69-194)186-146(235)109(71-196)187-148(237)121(76(8)9)191-143(232)106(62-119(212)213)184-145(234)108(70-195)188-151(240)124(82(15)198)193-142(231)104(58-84-31-21-18-22-32-84)185-150(239)123(81(14)197)189-115(205)68-166-131(220)95(44-49-116(206)207)172-113(203)66-164-128(217)90(154)61-87-64-159-72-167-87/h17-24,29-34,38-41,63-64,72-82,90,92-109,120-124,162,194-199H,16,25-28,35-37,42-62,65-71,153-154H2,1-15H3,(H2,155,200)(H2,156,201)(H,159,167)(H,160,202)(H,163,218)(H,164,217)(H,165,219)(H,166,220)(H,168,214)(H,169,221)(H,170,238)(H,171,204)(H,172,203)(H,173,215)(H,174,223)(H,175,224)(H,176,222)(H,177,226)(H,178,236)(H,179,216)(H,180,227)(H,181,228)(H,182,225)(H,183,233)(H,184,234)(H,185,239)(H,186,235)(H,187,237)(H,188,240)(H,189,205)(H,190,229)(H,191,232)(H,192,230)(H,193,231)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,157,158,161)/t77-,78-,79-,80-,81-,82-,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,120-,121-,122-,123-,124-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446514
(CHEMBL3110076)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446515
(CHEMBL3110075)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C21H31N5O3/c1-7-28-17-8-9-18(14(2)12-17)25-10-11-26(15(3)13-25)20-22-19(29-24-20)21(5,6)23-16(4)27/h8-9,12,15H,7,10-11,13H2,1-6H3,(H,23,27)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319665
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319664
((R,S)-2-((+/-)-exo-Bicyclo[2.2.1]heptan-2-ylamino)...)Show SMILES CC(C)C1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446516
(CHEMBL3110093)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319660
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r| Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261518
(CHEMBL500447 | c[Glu26-Lys30][Gly8]GLP-1(7-37)-NH2)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NCCCC[C@H](NC1=O)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(N)=O)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)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C152H227N41O47/c1-15-78(10)123-149(238)178-94(134(223)183-105(60-86-63-162-91-34-23-22-33-89(86)91)139(228)180-101(56-75(4)5)140(229)190-121(76(6)7)147(236)177-93(35-24-26-52-153)130(219)165-67-114(204)171-92(37-28-54-161-152(157)158)129(218)163-65-111(156)201)36-25-27-53-160-112(202)48-43-98(135(224)176-99(46-51-119(211)212)136(225)181-103(141(230)192-123)57-83-29-18-16-19-30-83)174-127(216)80(12)169-126(215)79(11)170-133(222)97(42-47-110(155)200)173-115(205)68-166-132(221)96(45-50-118(209)210)175-137(226)100(55-74(2)3)179-138(227)102(59-85-38-40-88(199)41-39-85)182-144(233)107(70-194)186-146(235)109(72-196)187-148(237)122(77(8)9)191-143(232)106(62-120(213)214)184-145(234)108(71-195)188-151(240)125(82(14)198)193-142(231)104(58-84-31-20-17-21-32-84)185-150(239)124(81(13)197)189-116(206)69-167-131(220)95(44-49-117(207)208)172-113(203)66-164-128(217)90(154)61-87-64-159-73-168-87/h16-23,29-34,38-41,63-64,73-82,90,92-109,121-125,162,194-199H,15,24-28,35-37,42-62,65-72,153-154H2,1-14H3,(H2,155,200)(H2,156,201)(H,159,168)(H,160,202)(H,163,218)(H,164,217)(H,165,219)(H,166,221)(H,167,220)(H,169,215)(H,170,222)(H,171,204)(H,172,203)(H,173,205)(H,174,216)(H,175,226)(H,176,224)(H,177,236)(H,178,238)(H,179,227)(H,180,228)(H,181,225)(H,182,233)(H,183,223)(H,184,234)(H,185,239)(H,186,235)(H,187,237)(H,188,240)(H,189,206)(H,190,229)(H,191,232)(H,192,230)(H,193,231)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,157,158,161)/t78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,121-,122-,123-,124-,125-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261511
(CHEMBL507190 | c[Glu19-Lys23][Gly8]GLP-1(7-37)-NH2)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]1CCCCNC(=O)CC[C@H](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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N1)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](CCCN=C(N)N)C(=O)NCC(N)=O |r,wU:127.129,114.121,106.108,135.139,91.92,138.142,77.82,67.70,57.58,147.150,47.47,42.43,28.34,4.4,176.179,205.210,218.223,wD:95.104,85.88,73.74,61.64,155.158,37.38,19.25,8.16,2.2,171.175,190.195,198.203,(63.95,5.91,;65.5,5.89,;66.29,7.21,;65.54,8.57,;67.83,7.2,;68.57,5.84,;67.79,4.52,;66.24,4.54,;68.54,3.18,;70.09,3.16,;70.83,1.82,;70.04,.47,;70.78,-.86,;72.32,-.89,;73.1,.43,;72.37,1.78,;67.76,1.85,;66.21,1.88,;65.46,3.22,;65.42,.55,;66.18,-.8,;67.71,-.82,;68.46,-2.16,;67.68,-3.48,;70.01,-2.18,;63.88,.57,;63.09,-.75,;63.84,-2.09,;61.55,-.73,;60.8,.61,;61.59,1.94,;60.84,3.29,;61.62,4.6,;60.87,5.95,;60.76,-2.05,;59.22,-2.03,;58.47,-.69,;58.43,-3.35,;59.18,-4.7,;56.89,-3.33,;56.11,-4.65,;56.85,-6,;54.56,-4.64,;53.81,-3.28,;53.78,-5.96,;52.23,-5.93,;51.45,-7.26,;51.48,-4.59,;52.27,-3.26,;51.52,-1.92,;49.98,-1.9,;49.23,-.56,;47.69,-.53,;39.05,-1.49,;37.72,-.71,;39.02,-3.03,;37.69,-3.79,;37.67,-5.33,;36.33,-6.08,;35,-5.3,;35.01,-3.75,;33.65,-6.05,;33.64,-7.59,;34.96,-8.37,;32.33,-5.27,;30.98,-6.01,;30.97,-7.56,;29.65,-5.23,;29.67,-3.69,;31.03,-2.94,;28.32,-5.99,;26.99,-5.2,;27.01,-3.65,;25.65,-5.96,;24.32,-5.17,;22.98,-5.92,;22.96,-7.47,;21.65,-5.14,;21.67,-3.6,;23.01,-2.84,;24.34,-3.63,;23.03,-1.3,;20.32,-5.89,;18.99,-5.11,;19.01,-3.56,;17.64,-5.86,;17.63,-7.4,;18.94,-8.18,;16.32,-5.08,;14.98,-5.82,;14.96,-7.37,;13.65,-5.04,;12.31,-5.8,;10.99,-5.01,;11,-3.47,;9.63,-5.76,;9.62,-7.3,;10.95,-8.09,;12.28,-7.34,;13.58,-8.14,;13.55,-9.68,;12.21,-10.43,;10.93,-9.64,;8.3,-4.98,;6.97,-5.73,;6.95,-7.27,;5.65,-4.95,;4.29,-5.7,;2.97,-4.92,;3,-3.37,;1.62,-5.66,;.32,-4.88,;-1.03,-5.64,;-1.05,-7.18,;-2.35,-4.85,;-2.34,-3.31,;-1,-2.56,;-.98,-1.01,;-2.3,-.23,;.37,-.26,;-3.71,-5.61,;-5.04,-4.82,;-5.02,-3.28,;-6.36,-5.57,;-7.7,-4.79,;-9.05,-5.54,;-9.07,-7.09,;-10.38,-4.76,;-11.73,-5.51,;-10.35,-3.21,;-9.01,-2.47,;-8.82,-.93,;-7.31,-.65,;-6.55,-1.99,;-7.6,-3.11,;5.66,-3.4,;4.33,-2.62,;7.01,-2.65,;13.66,-3.5,;12.34,-2.72,;15.01,-2.75,;25.63,-7.49,;26.96,-8.28,;24.29,-8.25,;38.99,-6.11,;38.97,-7.66,;40.33,-5.36,;41.66,-6.15,;43,-5.39,;43.02,-3.85,;44.37,-3.1,;41.69,-3.07,;41.64,-7.69,;40.3,-8.44,;42.96,-8.48,;44.5,-8.49,;45.25,-9.84,;44.45,-11.16,;45.2,-12.5,;44.42,-13.83,;46.75,-12.53,;45.28,-7.17,;44.53,-5.82,;46.82,-7.19,;47.61,-5.87,;49.16,-5.89,;49.9,-7.23,;49.94,-4.57,;68.62,8.53,;67.87,9.86,;70.16,8.51,;70.91,7.15,;70.12,5.82,;72.45,7.13,;73.24,8.46,;73.2,5.78,;74.74,5.76,;75.53,7.08,;77.07,7.06,;77.95,5.77,;79.42,6.22,;79.47,7.77,;80.61,8.8,;80.32,10.29,;78.87,10.79,;77.71,9.79,;77.99,8.28,;75.49,4.41,;74.71,3.09,;77.04,4.39,;77.78,3.05,;77,1.73,;77.75,.38,;76.96,-.95,;79.29,.35,;79.33,3.03,;80.08,1.68,;80.11,4.34,;81.66,4.33,;82.41,2.99,;81.62,1.66,;83.95,2.96,;82.44,5.64,;81.69,7,;83.99,5.63,;84.77,6.95,;84.02,8.32,;84.81,9.63,;84.06,10.96,;84.85,12.31,;84.1,13.65,;86.31,6.94,;87.06,5.58,;87.11,8.27,;88.64,8.25,;89.43,9.58,;88.69,10.91,;90.97,9.55,;91.76,10.86,;91.01,12.23,;91.8,13.55,;91.05,14.88,;91.84,16.21,;91.09,17.55,;89.55,17.58,;91.88,18.88,;93.31,10.86,;94.06,9.49,;94.09,12.18,;95.64,12.15,;96.42,13.49,;95.67,14.83,;97.97,13.46,)| Show InChI InChI=1S/C147H227N41O45/c1-16-76(10)118(144(231)166-79(13)123(210)175-101(58-84-61-157-88-37-24-23-36-86(84)88)134(221)177-98(55-73(4)5)135(222)185-116(74(6)7)142(229)174-90(38-25-28-50-148)126(213)160-65-109(197)167-89(41-31-53-156-147(152)153)125(212)158-63-106(151)194)187-136(223)99(56-82-32-19-17-20-33-82)178-132(219)96(45-49-114(204)205)172-130(217)92(39-26-29-51-149)170-122(209)78(12)164-121(208)77(11)165-129(216)91-40-27-30-52-155-107(195)46-42-95(131(218)176-97(54-72(2)3)133(220)171-94(44-48-113(202)203)128(215)161-66-110(198)168-91)173-139(226)103(68-189)181-141(228)105(70-191)182-143(230)117(75(8)9)186-138(225)102(60-115(206)207)179-140(227)104(69-190)183-146(233)120(81(15)193)188-137(224)100(57-83-34-21-18-22-35-83)180-145(232)119(80(14)192)184-111(199)67-162-127(214)93(43-47-112(200)201)169-108(196)64-159-124(211)87(150)59-85-62-154-71-163-85/h17-24,32-37,61-62,71-81,87,89-105,116-120,157,189-193H,16,25-31,38-60,63-70,148-150H2,1-15H3,(H2,151,194)(H,154,163)(H,155,195)(H,158,212)(H,159,211)(H,160,213)(H,161,215)(H,162,214)(H,164,208)(H,165,216)(H,166,231)(H,167,197)(H,168,198)(H,169,196)(H,170,209)(H,171,220)(H,172,217)(H,173,226)(H,174,229)(H,175,210)(H,176,218)(H,177,221)(H,178,219)(H,179,227)(H,180,232)(H,181,228)(H,182,230)(H,183,233)(H,184,199)(H,185,222)(H,186,225)(H,187,223)(H,188,224)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,152,153,156)/t76-,77-,78-,79-,80+,81+,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,116-,117-,118-,119-,120-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446517
(CHEMBL3110092)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261512
(CHEMBL524538 | Glu20-Lys24][Gly8][GLP-1(7-37)-NH2)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]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1)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](CCCN=C(N)N)C(=O)NCC(N)=O |r,wU:37.38,19.25,8.16,2.2,179.184,198.204,206.212,134.137,121.129,113.116,142.147,98.100,145.150,84.90,74.78,56.66,154.158,167.171,wD:28.34,4.4,184.188,213.219,226.232,102.112,92.96,80.82,68.72,52.53,42.42,(59.64,-13.65,;60.97,-12.89,;62.3,-13.66,;62.29,-15.21,;63.65,-12.9,;63.65,-11.35,;62.33,-10.59,;60.99,-11.36,;62.34,-9.04,;63.66,-8.28,;63.66,-6.75,;62.35,-5.97,;62.36,-4.43,;63.69,-3.67,;65.02,-4.44,;65.01,-5.98,;61,-8.26,;59.67,-9.02,;59.66,-10.57,;58.33,-8.24,;58.33,-6.72,;59.67,-5.95,;59.68,-4.42,;58.35,-3.64,;61.02,-3.64,;57,-9.01,;55.67,-8.23,;55.68,-6.7,;54.34,-8.99,;54.33,-10.53,;55.65,-11.31,;55.65,-12.85,;56.98,-13.63,;56.98,-15.17,;53,-8.22,;51.67,-8.97,;51.67,-10.52,;50.34,-8.2,;50.34,-6.67,;49.01,-8.97,;47.67,-8.19,;47.68,-6.65,;46.34,-8.96,;46.34,-10.49,;47.67,-11.26,;47.68,-12.8,;49,-13.56,;49,-15.1,;31.69,-12.81,;30.36,-13.58,;31.69,-11.27,;30.36,-10.51,;30.36,-8.97,;29.02,-8.19,;27.69,-8.97,;27.69,-10.51,;26.36,-8.19,;26.36,-6.65,;27.69,-5.88,;29.03,-6.66,;30.36,-5.88,;30.36,-4.35,;31.69,-3.58,;29.03,-3.59,;27.69,-4.35,;25.03,-8.97,;23.69,-8.19,;23.69,-6.65,;22.37,-8.97,;22.37,-10.51,;23.69,-11.27,;21.03,-8.19,;19.69,-8.97,;19.69,-10.51,;18.36,-8.19,;18.36,-6.65,;19.69,-5.88,;17.03,-8.97,;15.7,-8.19,;15.7,-6.65,;14.36,-8.97,;13.03,-8.19,;11.7,-8.97,;11.7,-10.51,;10.36,-8.19,;10.36,-6.65,;11.7,-5.88,;13.03,-6.65,;11.7,-4.34,;9.03,-8.97,;7.7,-8.19,;7.7,-6.65,;6.36,-8.97,;6.36,-10.51,;7.7,-11.27,;5.04,-8.19,;3.71,-8.97,;3.71,-10.51,;2.37,-8.19,;1.03,-8.97,;-.3,-8.19,;-.3,-6.65,;-1.63,-8.97,;-1.63,-10.51,;-.3,-11.27,;1.02,-10.5,;2.35,-11.27,;2.35,-12.81,;1.02,-13.58,;-.3,-12.81,;-2.96,-8.19,;-4.3,-8.97,;-4.3,-10.51,;-5.63,-8.19,;-6.96,-8.97,;-8.3,-8.19,;-8.3,-6.65,;-9.62,-8.97,;-10.95,-8.19,;-12.29,-8.97,;-12.29,-10.51,;-13.64,-8.19,;-13.64,-6.65,;-12.29,-5.88,;-12.29,-4.34,;-13.64,-3.58,;-10.95,-3.58,;-14.97,-8.97,;-16.29,-8.19,;-16.29,-6.65,;-17.62,-8.97,;-18.96,-8.19,;-20.29,-8.97,;-20.29,-10.51,;-21.63,-8.19,;-22.95,-8.97,;-21.63,-6.65,;-20.29,-5.88,;-20.12,-4.36,;-18.63,-4.04,;-17.86,-5.36,;-18.89,-6.52,;-5.63,-6.65,;-6.96,-5.88,;-4.3,-5.88,;2.37,-6.65,;1.03,-5.88,;3.71,-5.88,;14.36,-10.51,;15.7,-11.27,;13.03,-11.27,;31.69,-8.19,;31.69,-6.65,;33.02,-8.97,;34.35,-8.19,;34.35,-6.65,;35.69,-5.88,;35.69,-4.34,;34.35,-3.58,;37.02,-3.58,;35.69,-8.97,;35.69,-10.51,;37.02,-8.19,;38.35,-8.97,;39.69,-8.19,;39.69,-6.65,;41.02,-8.97,;42.35,-8.19,;42.35,-6.65,;43.69,-5.88,;43.69,-4.34,;42.35,-3.58,;45.02,-3.58,;43.69,-8.97,;43.69,-10.51,;45.01,-8.19,;64.97,-13.67,;64.96,-15.22,;66.3,-12.91,;66.3,-11.37,;64.98,-10.61,;67.64,-10.61,;68.98,-11.39,;67.64,-9.08,;68.98,-8.31,;70.33,-9.09,;71.66,-8.32,;71.82,-6.8,;73.33,-6.49,;74.09,-7.83,;75.59,-8.15,;76.07,-9.61,;75.03,-10.76,;73.53,-10.42,;73.06,-8.97,;68.99,-6.78,;67.67,-6.01,;70.34,-6.01,;70.34,-4.47,;69.02,-3.71,;69.02,-2.16,;67.71,-1.39,;70.37,-1.39,;71.69,-3.7,;71.69,-2.18,;73.02,-4.48,;74.35,-3.73,;74.35,-2.19,;73.04,-1.43,;75.69,-1.42,;75.69,-4.5,;75.68,-6.05,;77.02,-3.74,;78.35,-4.51,;78.34,-6.07,;79.67,-6.83,;79.66,-8.37,;80.98,-9.15,;80.98,-10.69,;79.68,-3.75,;79.68,-2.22,;81.02,-4.53,;82.35,-3.77,;83.68,-4.54,;83.67,-6.09,;85,-3.79,;86.35,-4.57,;86.34,-6.11,;87.67,-6.89,;87.66,-8.43,;88.98,-9.19,;88.98,-10.74,;87.64,-11.52,;90.3,-11.51,;87.68,-3.8,;87.68,-2.27,;89,-4.58,;90.33,-3.82,;91.68,-4.59,;93,-3.83,;91.67,-6.14,)| Show InChI InChI=1S/C152H228N42O47/c1-13-78(8)123(149(239)171-80(10)127(217)181-105(61-86-64-163-91-34-21-20-33-89(86)91)139(229)182-101(57-75(2)3)140(230)191-121(76(4)5)147(237)180-93(35-22-25-53-153)130(220)166-68-114(205)172-92(38-28-56-162-152(158)159)129(219)164-66-111(157)202)193-141(231)103(58-83-29-16-14-17-30-83)183-137(227)100(47-52-119(212)213)178-134(224)95(36-23-26-54-154)175-126(216)79(9)170-133(223)94-37-24-27-55-161-112(203)49-44-99(136(226)177-97(46-51-118(210)211)132(222)167-69-115(206)174-98(135(225)176-94)43-48-110(156)201)179-138(228)102(60-85-39-41-88(200)42-40-85)184-144(234)107(71-195)187-146(236)109(73-197)188-148(238)122(77(6)7)192-143(233)106(63-120(214)215)185-145(235)108(72-196)189-151(241)125(82(12)199)194-142(232)104(59-84-31-18-15-19-32-84)186-150(240)124(81(11)198)190-116(207)70-168-131(221)96(45-50-117(208)209)173-113(204)67-165-128(218)90(155)62-87-65-160-74-169-87/h14-21,29-34,39-42,64-65,74-82,90,92-109,121-125,163,195-200H,13,22-28,35-38,43-63,66-73,153-155H2,1-12H3,(H2,156,201)(H2,157,202)(H,160,169)(H,161,203)(H,164,219)(H,165,218)(H,166,220)(H,167,222)(H,168,221)(H,170,223)(H,171,239)(H,172,205)(H,173,204)(H,174,206)(H,175,216)(H,176,225)(H,177,226)(H,178,224)(H,179,228)(H,180,237)(H,181,217)(H,182,229)(H,183,227)(H,184,234)(H,185,235)(H,186,240)(H,187,236)(H,188,238)(H,189,241)(H,190,207)(H,191,230)(H,192,233)(H,193,231)(H,194,232)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,158,159,162)/t78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,121-,122-,123-,124-,125-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319666
((S)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446528
(CHEMBL3110081)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C18H26N4O2/c1-5-17-19-18(20-24-17)22-10-9-21(12-14(22)4)16-8-7-15(23-6-2)11-13(16)3/h7-8,11,14H,5-6,9-10,12H2,1-4H3/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446528
(CHEMBL3110081)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C18H26N4O2/c1-5-17-19-18(20-24-17)22-10-9-21(12-14(22)4)16-8-7-15(23-6-2)11-13(16)3/h7-8,11,14H,5-6,9-10,12H2,1-4H3/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446516
(CHEMBL3110093)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446514
(CHEMBL3110076)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319667
((R)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261513
(CHEMBL525956 | c[Glu21-Lys25][Gly8]GLP-1(7-37)-NH2)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]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1)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(N)=O |r| Show InChI InChI=1S/C153H232N42O45/c1-15-80(10)124(150(238)172-82(12)128(216)181-107(62-88-65-164-93-36-23-22-35-91(88)93)140(228)183-103(58-77(4)5)141(229)192-122(78(6)7)148(236)180-95(37-24-27-53-154)131(219)167-69-116(206)173-94(40-30-56-163-153(159)160)130(218)165-67-113(158)203)194-142(230)105(59-85-31-18-16-19-32-85)184-137(225)101(48-52-120(211)212)179-136(224)97(38-25-28-54-155)177-135(223)96-39-26-29-55-162-114(204)50-46-99(133(221)168-70-117(207)175-100(45-49-112(157)202)134(222)171-81(11)127(215)176-96)178-138(226)102(57-76(2)3)182-139(227)104(61-87-41-43-90(201)44-42-87)185-145(233)109(72-196)188-147(235)111(74-198)189-149(237)123(79(8)9)193-144(232)108(64-121(213)214)186-146(234)110(73-197)190-152(240)126(84(14)200)195-143(231)106(60-86-33-20-17-21-34-86)187-151(239)125(83(13)199)191-118(208)71-169-132(220)98(47-51-119(209)210)174-115(205)68-166-129(217)92(156)63-89-66-161-75-170-89/h16-23,31-36,41-44,65-66,75-84,92,94-111,122-126,164,196-201H,15,24-30,37-40,45-64,67-74,154-156H2,1-14H3,(H2,157,202)(H2,158,203)(H,161,170)(H,162,204)(H,165,218)(H,166,217)(H,167,219)(H,168,221)(H,169,220)(H,171,222)(H,172,238)(H,173,206)(H,174,205)(H,175,207)(H,176,215)(H,177,223)(H,178,226)(H,179,224)(H,180,236)(H,181,216)(H,182,227)(H,183,228)(H,184,225)(H,185,233)(H,186,234)(H,187,239)(H,188,235)(H,189,237)(H,190,240)(H,191,208)(H,192,229)(H,193,232)(H,194,230)(H,195,231)(H,209,210)(H,211,212)(H,213,214)(H4,159,160,163)/t80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-,126-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50319668
((R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...)Show SMILES CC(C)[C@@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay |
J Med Chem 53: 4481-7 (2010)
Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50261521
(CHEMBL526684 | c[Asp22-Lys26][Gly8]GLP-1(7-37)-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)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(N)=O |r| Show InChI InChI=1S/C152H227N41O47/c1-16-77(10)122(149(238)170-80(13)127(216)178-104(59-86-63-162-91-35-24-23-34-89(86)91)138(227)180-100(55-74(4)5)140(229)190-120(75(6)7)147(236)177-93(36-25-27-51-153)130(219)165-67-114(204)171-92(38-29-53-161-152(157)158)129(218)163-65-111(156)201)192-141(230)102(56-83-30-19-17-20-31-83)181-134(223)97(45-49-117(208)209)174-133(222)94-37-26-28-52-160-112(202)61-105(139(228)175-96(43-47-110(155)200)132(221)169-78(11)125(214)168-79(12)126(215)173-94)183-135(224)98(46-50-118(210)211)176-136(225)99(54-73(2)3)179-137(226)101(58-85-39-41-88(199)42-40-85)182-144(233)107(69-194)186-146(235)109(71-196)187-148(237)121(76(8)9)191-143(232)106(62-119(212)213)184-145(234)108(70-195)188-151(240)124(82(15)198)193-142(231)103(57-84-32-21-18-22-33-84)185-150(239)123(81(14)197)189-115(205)68-166-131(220)95(44-48-116(206)207)172-113(203)66-164-128(217)90(154)60-87-64-159-72-167-87/h17-24,30-35,39-42,63-64,72-82,90,92-109,120-124,162,194-199H,16,25-29,36-38,43-62,65-71,153-154H2,1-15H3,(H2,155,200)(H2,156,201)(H,159,167)(H,160,202)(H,163,218)(H,164,217)(H,165,219)(H,166,220)(H,168,214)(H,169,221)(H,170,238)(H,171,204)(H,172,203)(H,173,215)(H,174,222)(H,175,228)(H,176,225)(H,177,236)(H,178,216)(H,179,226)(H,180,227)(H,181,223)(H,182,233)(H,183,224)(H,184,234)(H,185,239)(H,186,235)(H,187,237)(H,188,240)(H,189,205)(H,190,229)(H,191,232)(H,192,230)(H,193,231)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,157,158,161)/t77-,78-,79-,80-,81-,82-,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,120-,121-,122-,123-,124-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells |
J Med Chem 51: 2758-65 (2008)
Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446518
(CHEMBL3110091)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CNC(C)=O)n2)c(C)c1 |r| Show InChI InChI=1S/C19H27N5O3/c1-5-26-16-6-7-17(13(2)10-16)23-8-9-24(14(3)12-23)19-21-18(27-22-19)11-20-15(4)25/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H,20,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446535
(CHEMBL3110098)Show SMILES CCCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-11-24-16-7-8-17(14(3)12-16)22-9-10-23(15(4)13-22)19-20-18(6-2)25-21-19/h7-8,12,15H,5-6,9-11,13H2,1-4H3/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Mus musculus) | BDBM50446514
(CHEMBL3110076)Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ACC2 |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446512
(CHEMBL3110095)Show InChI InChI=1S/C20H22N2O2/c1-4-12-23-17-10-11-18(14(3)13-17)15-6-8-16(9-7-15)20-21-19(5-2)24-22-20/h6-11,13H,4-5,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446512
(CHEMBL3110095)Show InChI InChI=1S/C20H22N2O2/c1-4-12-23-17-10-11-18(14(3)13-17)15-6-8-16(9-7-15)20-21-19(5-2)24-22-20/h6-11,13H,4-5,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446511
(CHEMBL3110096)Show InChI InChI=1S/C18H26N4O2/c1-4-12-23-15-6-7-16(14(3)13-15)21-8-10-22(11-9-21)18-19-17(5-2)24-20-18/h6-7,13H,4-5,8-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446520
(CHEMBL3110089)Show SMILES CCOc1cc(C)c(cn1)N1CCN([C@@H](C)C1)c1noc(CC)n1 |r| Show InChI InChI=1S/C17H25N5O2/c1-5-15-19-17(20-24-15)22-8-7-21(11-13(22)4)14-10-18-16(23-6-2)9-12(14)3/h9-10,13H,5-8,11H2,1-4H3/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446530
(CHEMBL3110079)Show SMILES CCCOc1ccc(N2CCN(C(C2)C(F)(F)F)c2noc(CC)n2)c(C)c1 Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-27-14-6-7-15(13(3)11-14)25-8-9-26(16(12-25)19(20,21)22)18-23-17(5-2)28-24-18/h6-7,11,16H,4-5,8-10,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM50446536
(CHEMBL3110097)Show SMILES CCCOc1ccc(N2CCN([C@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-11-24-16-7-8-17(14(3)12-16)22-9-10-23(15(4)13-22)19-20-18(6-2)25-21-19/h7-8,12,15H,5-6,9-11,13H2,1-4H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis |
J Med Chem 56: 10132-41 (2013)
Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K |
More data for this
Ligand-Target Pair | |
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