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Compile Data Set for Download or QSAR

Found 2301 hits with Last Name = 'mitchell' and Initial = 'j'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362044
PNG
(US10272077, Example 4 | US9833448, Example 4)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1c(F)ccc(F)c1F |r|
Show InChI InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1
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 0.0150n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362044
PNG
(US10272077, Example 4 | US9833448, Example 4)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1c(F)ccc(F)c1F |r|
Show InChI InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1
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 0.0150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362171
PNG
(US10272077, Example 5 | US9833448, Example 5)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C29H23F6N5O3/c1-13-17(18-6-16(30)7-20(31)23(18)32)8-21(26(42)40(13)12-29(33,34)35)38-25(41)15-5-14-9-28(10-22(14)37-11-15)19-3-2-4-36-24(19)39-27(28)43/h2-7,11,13,17,21H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,17-,21+,28+/m1/s1
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 0.0170n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362171
PNG
(US10272077, Example 5 | US9833448, Example 5)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C29H23F6N5O3/c1-13-17(18-6-16(30)7-20(31)23(18)32)8-21(26(42)40(13)12-29(33,34)35)38-25(41)15-5-14-9-28(10-22(14)37-11-15)19-3-2-4-36-24(19)39-27(28)43/h2-7,11,13,17,21H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,17-,21+,28+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362174
PNG
(US9833448, Example 17)
Show SMILES Fc1cccc([C@@H]2C[C@H](NC(=O)c3cnc4C[C@]5(Cc4c3)C(=O)Nc3ncccc53)C(=O)N(CC3CCC3)C2)c1F |r|
Show InChI InChI=1S/C31H29F2N5O3/c32-23-8-2-6-21(26(23)33)20-11-24(29(40)38(16-20)15-17-4-1-5-17)36-28(39)19-10-18-12-31(13-25(18)35-14-19)22-7-3-9-34-27(22)37-30(31)41/h2-3,6-10,14,17,20,24H,1,4-5,11-13,15-16H2,(H,36,39)(H,34,37,41)/t20-,24+,31+/m1/s1
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 0.0550n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM381649
PNG
(US10272077, Example 17)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC1CCC1)c1cccc(F)c1F |r|
Show InChI InChI=1S/C32H31F2N5O3/c1-17-22(21-7-3-9-24(33)27(21)34)12-25(30(41)39(17)16-18-5-2-6-18)37-29(40)20-11-19-13-32(14-26(19)36-15-20)23-8-4-10-35-28(23)38-31(32)42/h3-4,7-11,15,17-18,22,25H,2,5-6,12-14,16H2,1H3,(H,37,40)(H,35,38,42)/t17-,22-,25+,32+/m1/s1
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 0.0550n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM361595
PNG
(US10272077, Example 3 | US9833448, Example 3)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1ccccc1C |r|
Show InChI InChI=1S/C30H28F3N5O3/c1-16-6-3-4-7-20(16)21-11-23(27(40)38(17(21)2)15-30(31,32)33)36-26(39)19-10-18-12-29(13-24(18)35-14-19)22-8-5-9-34-25(22)37-28(29)41/h3-10,14,17,21,23H,11-13,15H2,1-2H3,(H,36,39)(H,34,37,41)/t17-,21-,23+,29+/m1/s1
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 0.0670n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM361594
PNG
(US10272077, Example 1 | US9833448, Example 1)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1
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 0.0670n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM361594
PNG
(US10272077, Example 1 | US9833448, Example 1)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1
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 0.0670n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM361595
PNG
(US10272077, Example 3 | US9833448, Example 3)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1ccccc1C |r|
Show InChI InChI=1S/C30H28F3N5O3/c1-16-6-3-4-7-20(16)21-11-23(27(40)38(17(21)2)15-30(31,32)33)36-26(39)19-10-18-12-29(13-24(18)35-14-19)22-8-5-9-34-25(22)37-28(29)41/h3-10,14,17,21,23H,11-13,15H2,1-2H3,(H,36,39)(H,34,37,41)/t17-,21-,23+,29+/m1/s1
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 0.0670n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362175
PNG
(US10272077, Example 26 | US9833448, Example 26)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC1(CC1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C32H30F3N5O3/c1-18-22(19-6-3-2-4-7-19)13-24(28(42)40(18)17-30(9-10-30)32(33,34)35)38-27(41)21-12-20-14-31(15-25(20)37-16-21)23-8-5-11-36-26(23)39-29(31)43/h2-8,11-12,16,18,22,24H,9-10,13-15,17H2,1H3,(H,38,41)(H,36,39,43)/t18-,22-,24+,31+/m1/s1
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 0.0930n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362175
PNG
(US10272077, Example 26 | US9833448, Example 26)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC1(CC1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C32H30F3N5O3/c1-18-22(19-6-3-2-4-7-19)13-24(28(42)40(18)17-30(9-10-30)32(33,34)35)38-27(41)21-12-20-14-31(15-25(20)37-16-21)23-8-5-11-36-26(23)39-29(31)43/h2-8,11-12,16,18,22,24H,9-10,13-15,17H2,1H3,(H,38,41)(H,36,39,43)/t18-,22-,24+,31+/m1/s1
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 0.0930n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231952
PNG
(CHEMBL4081554)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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](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@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CS)C(N)=O |r|
Show InChI InChI=1S/C184H281N49O59S2/c1-16-94(10)147(178(287)213-115(52-58-144(255)256)164(273)218-122(73-101-77-195-106-39-24-23-38-103(101)106)169(278)215-117(68-90(2)3)166(275)205-108(41-26-28-61-186)159(268)219-123(75-134(189)241)155(264)198-79-135(242)196-83-139(246)230-63-31-44-130(230)176(285)224-127(86-236)175(284)222-125(84-234)156(265)200-80-136(243)202-96(12)181(290)232-65-32-45-131(232)183(292)233-66-33-46-132(233)182(291)231-64-30-43-129(231)150(259)104(88-293)151(190)260)228-171(280)120(71-99-34-19-17-20-35-99)217-167(276)118(69-91(4)5)214-160(269)109(42-29-62-194-184(191)192)212-177(286)146(93(8)9)227-152(261)95(11)203-157(266)112(49-55-141(249)250)208-162(271)113(50-56-142(251)252)209-163(272)114(51-57-143(253)254)210-165(274)116(59-67-294-15)211-161(270)111(47-53-133(188)240)207-158(267)107(40-25-27-60-185)206-173(282)126(85-235)223-168(277)119(70-92(6)7)216-170(279)124(76-145(257)258)220-174(283)128(87-237)225-180(289)149(98(14)239)229-172(281)121(72-100-36-21-18-22-37-100)221-179(288)148(97(13)238)226-138(245)82-199-154(263)110(48-54-140(247)248)204-137(244)81-197-153(262)105(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104-105,107-132,146-149,195,234-239,293H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,240)(H2,189,241)(H2,190,260)(H,193,201)(H,196,242)(H,197,262)(H,198,264)(H,199,263)(H,200,265)(H,202,243)(H,203,266)(H,204,244)(H,205,275)(H,206,282)(H,207,267)(H,208,271)(H,209,272)(H,210,274)(H,211,270)(H,212,286)(H,213,287)(H,214,269)(H,215,278)(H,216,279)(H,217,276)(H,218,273)(H,219,268)(H,220,283)(H,221,288)(H,222,284)(H,223,277)(H,224,285)(H,225,289)(H,226,245)(H,227,261)(H,228,280)(H,229,281)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,105-,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
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 0.110n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362176
PNG
(US10272077, Example 30 | US9833448, Example 30)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncc(cc42)C#N)C(=O)N1CC(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C30H25F3N6O3/c1-16-21(18-5-3-2-4-6-18)9-23(27(41)39(16)15-30(31,32)33)37-26(40)20-8-19-10-29(11-24(19)35-14-20)22-7-17(12-34)13-36-25(22)38-28(29)42/h2-8,13-14,16,21,23H,9-11,15H2,1H3,(H,37,40)(H,36,38,42)/t16-,21-,23+,29+/m1/s1
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 0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362176
PNG
(US10272077, Example 30 | US9833448, Example 30)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncc(cc42)C#N)C(=O)N1CC(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C30H25F3N6O3/c1-16-21(18-5-3-2-4-6-18)9-23(27(41)39(16)15-30(31,32)33)37-26(40)20-8-19-10-29(11-24(19)35-14-20)22-7-17(12-34)13-36-25(22)38-28(29)42/h2-8,13-14,16,21,23H,9-11,15H2,1H3,(H,37,40)(H,36,38,42)/t16-,21-,23+,29+/m1/s1
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 0.140n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362177
PNG
(US10272077, Example 31 | US9833448, Example 31)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncncc42)C(=O)N1CC(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C28H25F3N6O3/c1-15-19(16-5-3-2-4-6-16)8-21(25(39)37(15)13-28(29,30)31)35-24(38)18-7-17-9-27(10-22(17)33-11-18)20-12-32-14-34-23(20)36-26(27)40/h2-7,11-12,14-15,19,21H,8-10,13H2,1H3,(H,35,38)(H,32,34,36,40)/t15-,19-,21+,27+/m1/s1
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 0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362177
PNG
(US10272077, Example 31 | US9833448, Example 31)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncncc42)C(=O)N1CC(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C28H25F3N6O3/c1-15-19(16-5-3-2-4-6-16)8-21(25(39)37(15)13-28(29,30)31)35-24(38)18-7-17-9-27(10-22(17)33-11-18)20-12-32-14-34-23(20)36-26(27)40/h2-7,11-12,14-15,19,21H,8-10,13H2,1H3,(H,35,38)(H,32,34,36,40)/t15-,19-,21+,27+/m1/s1
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 0.170n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM85511
PNG
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
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 0.190n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362172
PNG
(US10272077, Example 6 | US9833448, Example 6)
Show SMILES Fc1ccccc1[C@@H]1C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N(CC(F)(F)F)C1 |r|
Show InChI InChI=1S/C28H23F4N5O3/c29-20-6-2-1-4-18(20)17-9-21(25(39)37(13-17)14-28(30,31)32)35-24(38)16-8-15-10-27(11-22(15)34-12-16)19-5-3-7-33-23(19)36-26(27)40/h1-8,12,17,21H,9-11,13-14H2,(H,35,38)(H,33,36,40)/t17-,21+,27+/m1/s1
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 0.210n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362172
PNG
(US10272077, Example 6 | US9833448, Example 6)
Show SMILES Fc1ccccc1[C@@H]1C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N(CC(F)(F)F)C1 |r|
Show InChI InChI=1S/C28H23F4N5O3/c29-20-6-2-1-4-18(20)17-9-21(25(39)37(13-17)14-28(30,31)32)35-24(38)16-8-15-10-27(11-22(15)34-12-16)19-5-3-7-33-23(19)36-26(27)40/h1-8,12,17,21H,9-11,13-14H2,(H,35,38)(H,33,36,40)/t17-,21+,27+/m1/s1
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 0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231900
PNG
(CHEMBL4060480)
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](Cc1ccc(O)cc1)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(=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/C155H229N41O47/c1-15-79(8)125(152(241)174-83(12)131(220)182-110(63-90-66-165-96-34-23-22-33-94(90)96)143(232)184-105(58-77(4)5)145(234)194-124(78(6)7)151(240)181-98(35-24-26-54-156)134(223)167-69-117(206)175-97(37-28-56-164-155(161)162)133(222)166-68-116(160)205)195-146(235)108(59-86-29-18-16-19-30-86)185-139(228)103(49-53-122(213)214)180-138(227)99(36-25-27-55-157)177-129(218)81(10)171-128(217)80(9)173-137(226)102(46-50-115(159)204)176-118(207)70-168-136(225)101(48-52-121(211)212)179-140(229)104(57-76(2)3)183-141(230)106(61-88-38-42-92(202)43-39-88)187-148(237)112(72-197)191-150(239)113(73-198)190-142(231)107(62-89-40-44-93(203)45-41-89)186-144(233)111(65-123(215)216)188-149(238)114(74-199)192-154(243)127(85(14)201)196-147(236)109(60-87-31-20-17-21-32-87)189-153(242)126(84(13)200)193-119(208)71-169-135(224)100(47-51-120(209)210)178-130(219)82(11)172-132(221)95(158)64-91-67-163-75-170-91/h16-23,29-34,38-45,66-67,75-85,95,97-114,124-127,165,197-203H,15,24-28,35-37,46-65,68-74,156-158H2,1-14H3,(H2,159,204)(H2,160,205)(H,163,170)(H,166,222)(H,167,223)(H,168,225)(H,169,224)(H,171,217)(H,172,221)(H,173,226)(H,174,241)(H,175,206)(H,176,207)(H,177,218)(H,178,219)(H,179,229)(H,180,227)(H,181,240)(H,182,220)(H,183,230)(H,184,232)(H,185,228)(H,186,233)(H,187,237)(H,188,238)(H,189,242)(H,190,231)(H,191,239)(H,192,243)(H,193,208)(H,194,234)(H,195,235)(H,196,236)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,161,162,164)/t79-,80-,81-,82-,83-,84+,85+,95-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,124-,125-,126-,127-/m0/s1
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 0.230n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362173
PNG
(US10272077, Example 11 | US9833448, Example 11)
Show SMILES Fc1cccc(Cl)c1[C@@H]1C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N(CC(F)(F)F)C1 |r|
Show InChI InChI=1S/C28H22ClF4N5O3/c29-18-4-1-5-19(30)22(18)16-8-20(25(40)38(12-16)13-28(31,32)33)36-24(39)15-7-14-9-27(10-21(14)35-11-15)17-3-2-6-34-23(17)37-26(27)41/h1-7,11,16,20H,8-10,12-13H2,(H,36,39)(H,34,37,41)/t16-,20+,27+/m1/s1
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 0.25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...

US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM362173
PNG
(US10272077, Example 11 | US9833448, Example 11)
Show SMILES Fc1cccc(Cl)c1[C@@H]1C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N(CC(F)(F)F)C1 |r|
Show InChI InChI=1S/C28H22ClF4N5O3/c29-18-4-1-5-19(30)22(18)16-8-20(25(40)38(12-16)13-28(31,32)33)36-24(39)15-7-14-9-27(10-21(14)35-11-15)17-3-2-6-34-23(17)37-26(27)41/h1-7,11,16,20H,8-10,12-13H2,(H,36,39)(H,34,37,41)/t16-,20+,27+/m1/s1
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 0.25n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475465
PNG
(CHEMBL196410)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H18ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-7,10,13,20H,8-9,11-12H2
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 0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475467
PNG
(CHEMBL425015)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1c[nH]c2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H18ClN3O2S/c19-13-3-1-4-14(11-13)25(23,24)17-12-21-18-15(17)5-2-6-16(18)22-9-7-20-8-10-22/h1-6,11-12,20-21H,7-10H2
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 0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50174269
PNG
(1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
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 0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475462
PNG
(CHEMBL371375)
Show SMILES Clc1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-3-1-4-14(11-13)26(24,25)23-12-15(20)18-16(5-2-6-17(18)23)22-9-7-21-8-10-22/h1-6,11-12,21H,7-10H2
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 0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475480
PNG
(CHEMBL193629)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(ccc(Cl)c12)N1CCNCC1
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-2-1-3-14(12-13)26(24,25)23-9-6-15-17(5-4-16(20)18(15)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
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 0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50261506
PNG
(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
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CHEMBL
PC cid
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Article
PubMed
 0.320n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231888
PNG
(CHEMBL4081357)
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]1CC(=O)NCCCC[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)[C@H](C)NC(=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/c1-17-80(10)125(153(242)175-84(14)131(220)184-109(64-90-68-167-95-38-25-24-37-93(90)95)143(232)186-105(60-77(4)5)145(234)195-123(78(6)7)151(240)183-97(39-26-29-55-157)134(223)169-71-117(207)176-96(42-32-58-166-156(162)163)133(222)168-70-115(161)205)197-146(235)107(61-87-33-20-18-21-34-87)188-139(228)102(49-53-120(211)212)180-137(226)98(40-27-30-56-158)177-129(218)82(12)172-128(217)81(11)174-136(225)101(47-51-114(160)204)181-144(233)110-66-116(206)165-57-31-28-41-99(138(227)187-106(63-89-43-45-92(203)46-44-89)142(231)185-104(59-76(2)3)141(230)182-103(140(229)189-110)50-54-121(213)214)179-149(238)112(73-199)192-152(241)124(79(8)9)196-148(237)111(67-122(215)216)190-150(239)113(74-200)193-155(244)127(86(16)202)198-147(236)108(62-88-35-22-19-23-36-88)191-154(243)126(85(15)201)194-118(208)72-170-135(224)100(48-52-119(209)210)178-130(219)83(13)173-132(221)94(159)65-91-69-164-75-171-91/h18-25,33-38,43-46,68-69,75-86,94,96-113,123-127,167,199-203H,17,26-32,39-42,47-67,70-74,157-159H2,1-16H3,(H2,160,204)(H2,161,205)(H,164,171)(H,165,206)(H,168,222)(H,169,223)(H,170,224)(H,172,217)(H,173,221)(H,174,225)(H,175,242)(H,176,207)(H,177,218)(H,178,219)(H,179,238)(H,180,226)(H,181,233)(H,182,230)(H,183,240)(H,184,220)(H,185,231)(H,186,232)(H,187,227)(H,188,228)(H,189,229)(H,190,239)(H,191,243)(H,192,241)(H,193,244)(H,194,208)(H,195,234)(H,196,237)(H,197,235)(H,198,236)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,162,163,166)/t80-,81-,82-,83-,84-,85+,86+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
 0.350n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475475
PNG
(CHEMBL372513)
Show SMILES Clc1ccccc1S(=O)(=O)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H18ClN3O2S/c19-15-4-1-2-7-18(15)25(23,24)22-11-8-14-16(5-3-6-17(14)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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 0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475477
PNG
(CHEMBL372929)
Show SMILES Cc1cc2c(cccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
Show InChI InChI=1S/C19H20ClN3O2S/c1-14-12-17-18(22-10-8-21-9-11-22)6-3-7-19(17)23(14)26(24,25)16-5-2-4-15(20)13-16/h2-7,12-13,21H,8-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC sid
UniChem
Article
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 0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM9665
PNG
(2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C41H54N2O5/c1-3-40(21-9-10-22-40)42(25-27-44)38(47)36-16-8-7-13-32(36)19-20-35(46)30-33-18-17-31(2)29-37(33)39(48)43(26-28-45)41(23-11-12-24-41)34-14-5-4-6-15-34/h4-8,13-18,29,35,44-46H,3,9-12,19-28,30H2,1-2H3
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
 0.400n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...

J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231942
PNG
(CHEMBL4065403)
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](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](Cc1ccc(O)cc1)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(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C157H229N41O48/c1-15-79(8)126(154(244)182-99-36-25-27-55-165-118(208)65-111(136(226)170-70-119(209)176-97(37-28-56-166-157(162)163)134(224)168-69-117(161)207)191-153(243)125(78(6)7)196-147(237)105(58-77(4)5)184-145(235)110(188-140(99)230)63-90-67-167-96-34-23-22-33-94(90)96)197-148(238)108(59-86-29-18-16-19-30-86)185-141(231)103(49-53-123(215)216)180-139(229)98(35-24-26-54-158)177-130(220)81(10)172-129(219)80(9)174-137(227)101(46-50-116(160)206)179-132(222)83(12)175-138(228)102(48-52-122(213)214)181-142(232)104(57-76(2)3)183-143(233)106(61-88-38-42-92(204)43-39-88)187-150(240)113(72-199)193-152(242)114(73-200)192-144(234)107(62-89-40-44-93(205)45-41-89)186-146(236)112(66-124(217)218)189-151(241)115(74-201)194-156(246)128(85(14)203)198-149(239)109(60-87-31-20-17-21-32-87)190-155(245)127(84(13)202)195-120(210)71-169-135(225)100(47-51-121(211)212)178-131(221)82(11)173-133(223)95(159)64-91-68-164-75-171-91/h16-23,29-34,38-45,67-68,75-85,95,97-115,125-128,167,199-205H,15,24-28,35-37,46-66,69-74,158-159H2,1-14H3,(H2,160,206)(H2,161,207)(H,164,171)(H,165,208)(H,168,224)(H,169,225)(H,170,226)(H,172,219)(H,173,223)(H,174,227)(H,175,228)(H,176,209)(H,177,220)(H,178,221)(H,179,222)(H,180,229)(H,181,232)(H,182,244)(H,183,233)(H,184,235)(H,185,231)(H,186,236)(H,187,240)(H,188,230)(H,189,241)(H,190,245)(H,191,243)(H,192,234)(H,193,242)(H,194,246)(H,195,210)(H,196,237)(H,197,238)(H,198,239)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,162,163,166)/t79-,80-,81-,82-,83-,84+,85+,95-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,125-,126-,127-,128-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
 0.470n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231949
PNG
(CHEMBL4069162)
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](Cc1ccc(O)cc1)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(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C156H227N41O48/c1-14-79(8)126(153(243)181-98-35-24-26-54-164-117(207)64-110(136(226)170-70-118(208)175-96(36-27-55-165-156(161)162)133(223)167-68-116(160)206)190-152(242)125(78(6)7)195-146(236)104(57-77(4)5)183-144(234)109(187-139(98)229)62-89-66-166-95-33-22-21-32-93(89)95)196-147(237)107(58-85-28-17-15-18-29-85)184-140(230)102(48-52-123(215)216)180-138(228)97(34-23-25-53-157)177-130(220)81(10)172-129(219)80(9)174-137(227)101(45-49-115(159)205)176-119(209)69-168-135(225)100(47-51-122(213)214)179-141(231)103(56-76(2)3)182-142(232)105(60-87-37-41-91(203)42-38-87)186-149(239)112(72-198)192-151(241)113(73-199)191-143(233)106(61-88-39-43-92(204)44-40-88)185-145(235)111(65-124(217)218)188-150(240)114(74-200)193-155(245)128(84(13)202)197-148(238)108(59-86-30-19-16-20-31-86)189-154(244)127(83(12)201)194-120(210)71-169-134(224)99(46-50-121(211)212)178-131(221)82(11)173-132(222)94(158)63-90-67-163-75-171-90/h15-22,28-33,37-44,66-67,75-84,94,96-114,125-128,166,198-204H,14,23-27,34-36,45-65,68-74,157-158H2,1-13H3,(H2,159,205)(H2,160,206)(H,163,171)(H,164,207)(H,167,223)(H,168,225)(H,169,224)(H,170,226)(H,172,219)(H,173,222)(H,174,227)(H,175,208)(H,176,209)(H,177,220)(H,178,221)(H,179,231)(H,180,228)(H,181,243)(H,182,232)(H,183,234)(H,184,230)(H,185,235)(H,186,239)(H,187,229)(H,188,240)(H,189,244)(H,190,242)(H,191,233)(H,192,241)(H,193,245)(H,194,210)(H,195,236)(H,196,237)(H,197,238)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,161,162,165)/t79-,80-,81-,82-,83+,84+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
 0.490n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231943
PNG
(CHEMBL4093072)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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](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(N)=O |r|
Show InChI InChI=1S/C150H231N41O48S/c1-15-77(10)121(147(237)177-96(43-49-118(210)211)135(225)182-103(60-83-64-161-87-34-23-22-33-85(83)87)140(230)179-98(55-73(2)3)137(227)169-89(36-25-27-52-152)130(220)183-104(62-109(155)197)127(217)164-67-111(199)162-66-110(156)198)190-142(232)101(58-81-29-18-16-19-30-81)181-138(228)99(56-74(4)5)178-131(221)90(37-28-53-160-150(157)158)176-146(236)120(76(8)9)189-124(214)78(11)167-128(218)93(40-46-115(204)205)172-133(223)94(41-47-116(206)207)173-134(224)95(42-48-117(208)209)174-136(226)97(50-54-240-14)175-132(222)92(38-44-108(154)196)171-129(219)88(35-24-26-51-151)170-144(234)106(70-192)186-139(229)100(57-75(6)7)180-141(231)105(63-119(212)213)184-145(235)107(71-193)187-149(239)123(80(13)195)191-143(233)102(59-82-31-20-17-21-32-82)185-148(238)122(79(12)194)188-113(201)69-165-126(216)91(39-45-114(202)203)168-112(200)68-163-125(215)86(153)61-84-65-159-72-166-84/h16-23,29-34,64-65,72-80,86,88-107,120-123,161,192-195H,15,24-28,35-63,66-71,151-153H2,1-14H3,(H2,154,196)(H2,155,197)(H2,156,198)(H,159,166)(H,162,199)(H,163,215)(H,164,217)(H,165,216)(H,167,218)(H,168,200)(H,169,227)(H,170,234)(H,171,219)(H,172,223)(H,173,224)(H,174,226)(H,175,222)(H,176,236)(H,177,237)(H,178,221)(H,179,230)(H,180,231)(H,181,228)(H,182,225)(H,183,220)(H,184,235)(H,185,238)(H,186,229)(H,187,239)(H,188,201)(H,189,214)(H,190,232)(H,191,233)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,157,158,160)/t77-,78-,79+,80+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,120-,121-,122-,123-/m0/s1
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 0.490n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50044607
PNG
(CHEMBL372537)
Show SMILES O=S(=O)(c1csc2c(cccc12)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H18N2O2S2/c21-24(22,14-5-2-1-3-6-14)17-13-23-18-15(17)7-4-8-16(18)20-11-9-19-10-12-20/h1-8,13,19H,9-12H2
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 0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475463
PNG
(CHEMBL194915)
Show SMILES Clc1ccc2n(ccc2c1N1CCNCC1)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C17H17ClN4O2S/c18-14-4-5-15-13(17(14)21-11-8-19-9-12-21)6-10-22(15)25(23,24)16-3-1-2-7-20-16/h1-7,10,19H,8-9,11-12H2
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 0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231887
PNG
(CHEMBL4091638)
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]1CC(=O)NCCCC[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)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)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/C150H224N42O47/c1-13-75(6)120(147(237)170-79(10)126(216)179-103(59-85-63-161-90-34-21-20-33-88(85)90)137(227)180-99(55-73(2)3)140(230)190-119(74(4)5)146(236)178-92(35-22-25-51-151)129(219)163-66-112(202)171-91(38-28-54-160-150(156)157)128(218)162-65-110(155)200)191-141(231)101(56-82-29-16-14-17-30-82)181-135(225)98(46-50-117(209)210)177-133(223)93(36-23-26-52-152)173-124(214)77(8)167-123(213)76(7)169-132(222)97(43-47-109(154)199)172-113(203)67-164-131(221)96(45-49-116(207)208)176-138(228)104-61-111(201)159-53-27-24-37-94(134(224)186-107(70-194)145(235)187-106(69-193)143(233)182-100(136(226)183-104)58-84-39-41-87(198)42-40-84)175-139(229)105(62-118(211)212)184-144(234)108(71-195)188-149(239)122(81(12)197)192-142(232)102(57-83-31-18-15-19-32-83)185-148(238)121(80(11)196)189-114(204)68-165-130(220)95(44-48-115(205)206)174-125(215)78(9)168-127(217)89(153)60-86-64-158-72-166-86/h14-21,29-34,39-42,63-64,72-81,89,91-108,119-122,161,193-198H,13,22-28,35-38,43-62,65-71,151-153H2,1-12H3,(H2,154,199)(H2,155,200)(H,158,166)(H,159,201)(H,162,218)(H,163,219)(H,164,221)(H,165,220)(H,167,213)(H,168,217)(H,169,222)(H,170,237)(H,171,202)(H,172,203)(H,173,214)(H,174,215)(H,175,229)(H,176,228)(H,177,223)(H,178,236)(H,179,216)(H,180,227)(H,181,225)(H,182,233)(H,183,226)(H,184,234)(H,185,238)(H,186,224)(H,187,235)(H,188,239)(H,189,204)(H,190,230)(H,191,231)(H,192,232)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,156,157,160)/t75-,76-,77-,78-,79-,80+,81+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-,121-,122-/m0/s1
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 0.520n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50086603
PNG
(CHEMBL3426241)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(N)=O)cc1 |r|
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 0.570n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...

J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475473
PNG
(CHEMBL194039)
Show SMILES Cc1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClN3O2S/c1-14-13-23(26(24,25)16-5-2-4-15(20)12-16)18-7-3-6-17(19(14)18)22-10-8-21-9-11-22/h2-7,12-13,21H,8-11H2,1H3
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 0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50301953
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2c(F)cccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H94F2N14O19/c1-9-44-31-48(111-8)25-26-50(44)46-23-19-43(20-24-46)30-57(68(104)84-56(65(80)101)29-42-17-21-45(22-18-42)49-14-11-10-13-39(49)2)85-69(105)58(33-62(99)100)86-70(106)59(37-93)87-71(107)63(40(3)94)90-74(110)76(7,34-51-52(77)15-12-16-53(51)78)92-72(108)64(41(4)95)89-60(96)36-82-67(103)55(27-28-61(97)98)88-73(109)75(5,6)91-66(102)54(79)32-47-35-81-38-83-47/h10-26,31,35,38,40-41,54-59,63-64,93-95H,9,27-30,32-34,36-37,79H2,1-8H3,(H2,80,101)(H,81,83)(H,82,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,109)(H,89,96)(H,90,110)(H,91,102)(H,92,108)(H,97,98)(H,99,100)/t40-,41-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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 0.660n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...

J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231894
PNG
(CHEMBL4100325)
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)[C@H](C)NC(=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/C157H238N42O46/c1-17-81(10)126(154(243)176-85(14)132(221)186-111(66-91-69-168-96-38-25-24-37-94(91)96)145(234)188-107(62-78(4)5)146(235)196-124(79(6)7)152(241)185-98(39-26-29-57-158)135(224)170-72-118(208)177-97(42-32-60-167-157(163)164)134(223)169-71-116(162)206)198-147(236)109(63-88-33-20-18-21-34-88)190-142(231)105(51-56-122(214)215)182-138(227)99(40-27-30-58-159)178-130(219)83(12)173-129(218)82(11)175-137(226)102(47-52-115(161)205)181-139(228)100-41-28-31-59-166-117(207)53-48-103(141(230)189-108(65-90-43-45-93(204)46-44-90)144(233)187-106(61-77(2)3)143(232)183-104(140(229)180-100)50-55-121(212)213)184-150(239)113(74-200)193-153(242)125(80(8)9)197-149(238)112(68-123(216)217)191-151(240)114(75-201)194-156(245)128(87(16)203)199-148(237)110(64-89-35-22-19-23-36-89)192-155(244)127(86(15)202)195-119(209)73-171-136(225)101(49-54-120(210)211)179-131(220)84(13)174-133(222)95(160)67-92-70-165-76-172-92/h18-25,33-38,43-46,69-70,76-87,95,97-114,124-128,168,200-204H,17,26-32,39-42,47-68,71-75,158-160H2,1-16H3,(H2,161,205)(H2,162,206)(H,165,172)(H,166,207)(H,169,223)(H,170,224)(H,171,225)(H,173,218)(H,174,222)(H,175,226)(H,176,243)(H,177,208)(H,178,219)(H,179,220)(H,180,229)(H,181,228)(H,182,227)(H,183,232)(H,184,239)(H,185,241)(H,186,221)(H,187,233)(H,188,234)(H,189,230)(H,190,231)(H,191,240)(H,192,244)(H,193,242)(H,194,245)(H,195,209)(H,196,235)(H,197,238)(H,198,236)(H,199,237)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,163,164,167)/t81-,82-,83-,84-,85-,86+,87+,95-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,124-,125-,126-,127-,128-/m0/s1
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 0.800n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231902
PNG
(CHEMBL4096416)
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]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)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)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)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]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C162H236N42O48/c1-14-83(8)131(159(250)189-103-38-25-28-60-171-123(214)70-116(140(231)176-75-124(215)181-100(39-29-61-172-162(167)168)138(229)174-74-121(166)212)198-158(249)130(82(6)7)202-153(244)110(63-81(4)5)191-151(242)115(195-144(103)235)68-93-72-173-99-35-22-21-34-97(93)99)203-154(245)113(64-89-30-17-15-18-31-89)193-147(238)108(52-57-128(221)222)187-142(233)101(36-23-26-58-163)182-135(226)85(10)178-134(225)84(9)180-141(232)105(48-53-120(165)211)185-145(236)106-49-54-122(213)170-59-27-24-37-102(143(234)192-111(66-91-40-44-95(209)45-41-91)149(240)190-109(62-80(2)3)148(239)188-107(146(237)186-106)51-56-127(219)220)184-156(247)118(77-205)199-150(241)112(67-92-42-46-96(210)47-43-92)194-152(243)117(71-129(223)224)196-157(248)119(78-206)200-161(252)133(88(13)208)204-155(246)114(65-90-32-19-16-20-33-90)197-160(251)132(87(12)207)201-125(216)76-175-139(230)104(50-55-126(217)218)183-136(227)86(11)179-137(228)98(164)69-94-73-169-79-177-94/h15-22,30-35,40-47,72-73,79-88,98,100-119,130-133,173,205-210H,14,23-29,36-39,48-71,74-78,163-164H2,1-13H3,(H2,165,211)(H2,166,212)(H,169,177)(H,170,213)(H,171,214)(H,174,229)(H,175,230)(H,176,231)(H,178,225)(H,179,228)(H,180,232)(H,181,215)(H,182,226)(H,183,227)(H,184,247)(H,185,236)(H,186,237)(H,187,233)(H,188,239)(H,189,250)(H,190,240)(H,191,242)(H,192,234)(H,193,238)(H,194,243)(H,195,235)(H,196,248)(H,197,251)(H,198,249)(H,199,241)(H,200,252)(H,201,216)(H,202,244)(H,203,245)(H,204,246)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H4,167,168,172)/t83-,84-,85-,86-,87+,88+,98-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,130-,131-,132-,133-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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Article
PubMed
 0.820n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231962
PNG
(CHEMBL4099379)
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]1CCC(=O)NCCCC[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)[C@H](C)NC(=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/C157H238N42O46/c1-17-81(10)126(154(243)176-85(14)132(221)186-111(66-91-69-168-96-38-25-24-37-94(91)96)145(234)188-107(62-78(4)5)146(235)196-124(79(6)7)152(241)185-98(39-26-29-57-158)135(224)170-72-118(208)177-97(42-32-60-167-157(163)164)134(223)169-71-116(162)206)198-147(236)109(63-88-33-20-18-21-34-88)190-142(231)105(51-56-122(214)215)183-138(227)99(40-27-30-58-159)178-130(219)83(12)173-129(218)82(11)175-137(226)102(47-52-115(161)205)181-140(229)103-48-53-117(207)166-59-31-28-41-100(139(228)189-108(65-90-43-45-93(204)46-44-90)144(233)187-106(61-77(2)3)143(232)184-104(141(230)182-103)50-55-121(212)213)180-150(239)113(74-200)193-153(242)125(80(8)9)197-149(238)112(68-123(216)217)191-151(240)114(75-201)194-156(245)128(87(16)203)199-148(237)110(64-89-35-22-19-23-36-89)192-155(244)127(86(15)202)195-119(209)73-171-136(225)101(49-54-120(210)211)179-131(220)84(13)174-133(222)95(160)67-92-70-165-76-172-92/h18-25,33-38,43-46,69-70,76-87,95,97-114,124-128,168,200-204H,17,26-32,39-42,47-68,71-75,158-160H2,1-16H3,(H2,161,205)(H2,162,206)(H,165,172)(H,166,207)(H,169,223)(H,170,224)(H,171,225)(H,173,218)(H,174,222)(H,175,226)(H,176,243)(H,177,208)(H,178,219)(H,179,220)(H,180,239)(H,181,229)(H,182,230)(H,183,227)(H,184,232)(H,185,241)(H,186,221)(H,187,233)(H,188,234)(H,189,228)(H,190,231)(H,191,240)(H,192,244)(H,193,242)(H,194,245)(H,195,209)(H,196,235)(H,197,238)(H,198,236)(H,199,237)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,163,164,167)/t81-,82-,83-,84-,85-,86+,87+,95-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,124-,125-,126-,127-,128-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
 0.840n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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UniProtKB/SwissProt

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Article
PubMed
 0.900 -53.7n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...

J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231896
PNG
(CHEMBL4084829)
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]1CC(=O)NCCCC[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)[C@H](C)NC(=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]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C157H234N42O47/c1-16-80(10)126(154(244)183-98-40-27-30-55-165-116(207)65-109(135(225)171-71-118(209)176-95(41-31-57-167-157(162)163)133(223)169-70-115(161)206)192-152(242)124(78(6)7)196-146(236)104(59-77(4)5)185-144(234)108(188-139(98)229)63-89-68-168-94-37-24-23-36-92(89)94)198-147(237)106(60-86-32-19-17-20-33-86)187-140(230)101(48-52-121(213)214)180-137(227)96(38-25-28-54-158)177-130(220)82(12)173-129(219)81(11)175-136(226)100(46-50-114(160)205)181-145(235)110-66-117(208)166-56-29-26-39-97(138(228)186-105(62-88-42-44-91(204)45-43-88)143(233)184-103(58-76(2)3)142(232)182-102(141(231)189-110)49-53-122(215)216)179-150(240)112(73-200)193-153(243)125(79(8)9)197-149(239)111(67-123(217)218)190-151(241)113(74-201)194-156(246)128(85(15)203)199-148(238)107(61-87-34-21-18-22-35-87)191-155(245)127(84(14)202)195-119(210)72-170-134(224)99(47-51-120(211)212)178-131(221)83(13)174-132(222)93(159)64-90-69-164-75-172-90/h17-24,32-37,42-45,68-69,75-85,93,95-113,124-128,168,200-204H,16,25-31,38-41,46-67,70-74,158-159H2,1-15H3,(H2,160,205)(H2,161,206)(H,164,172)(H,165,207)(H,166,208)(H,169,223)(H,170,224)(H,171,225)(H,173,219)(H,174,222)(H,175,226)(H,176,209)(H,177,220)(H,178,221)(H,179,240)(H,180,227)(H,181,235)(H,182,232)(H,183,244)(H,184,233)(H,185,234)(H,186,228)(H,187,230)(H,188,229)(H,189,231)(H,190,241)(H,191,245)(H,192,242)(H,193,243)(H,194,246)(H,195,210)(H,196,236)(H,197,239)(H,198,237)(H,199,238)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,162,163,167)/t80-,81-,82-,83-,84+,85+,93-,95-,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
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CHEMBL
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UniChem

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Article
PubMed
 0.940n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475479
PNG
(CHEMBL371176)
Show SMILES Clc1ccccc1S(=O)(=O)n1ccc2c(N3CCNCC3)c(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-14-3-1-2-4-17(14)26(24,25)23-10-7-13-16(23)6-5-15(20)18(13)22-11-8-21-9-12-22/h1-7,10,21H,8-9,11-12H2
PDB

Reactome pathway
KEGG

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 1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50475470
PNG
(CHEMBL370209)
Show SMILES O=S(=O)(c1ccccn1)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C17H18N4O2S/c22-24(23,17-6-1-2-8-19-17)21-11-7-14-15(4-3-5-16(14)21)20-12-9-18-10-13-20/h1-8,11,18H,9-10,12-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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UniChem
Article
PubMed
 1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells

Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231895
PNG
(CHEMBL4073486)
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]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)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)177-94-37-26-28-52-160-112(202)61-105(132(221)166-67-113(203)171-92(38-29-53-161-152(157)158)129(218)163-65-111(156)201)185-147(236)120(75(6)7)190-140(229)100(55-74(4)5)179-139(228)104(182-135(94)224)59-86-63-162-91-35-24-23-34-89(86)91)192-141(230)102(56-83-30-19-17-20-31-83)180-136(225)98(46-50-118(210)211)176-134(223)93(36-25-27-51-153)173-126(215)79(12)168-125(214)78(11)170-133(222)97(43-47-110(155)200)172-114(204)66-164-131(220)96(45-49-117(208)209)175-137(226)99(54-73(2)3)178-138(227)101(58-85-39-41-88(199)42-40-85)181-144(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)183-145(234)108(70-195)188-151(240)124(82(15)198)193-142(231)103(57-84-32-21-18-22-33-84)184-150(239)123(81(14)197)189-115(205)68-165-130(219)95(44-48-116(206)207)174-127(216)80(13)169-128(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,164,220)(H,165,219)(H,166,221)(H,168,214)(H,169,217)(H,170,222)(H,171,203)(H,172,204)(H,173,215)(H,174,216)(H,175,226)(H,176,223)(H,177,238)(H,178,227)(H,179,228)(H,180,225)(H,181,233)(H,182,224)(H,183,234)(H,184,239)(H,185,236)(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
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PubMed
 1.10n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay

Eur J Med Chem 127: 703-714 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.044
BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
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