Found 79 hits with Last Name = 'fortin' and Initial = 'jp' 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 |
|---|
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
| 0.0530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
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
| 0.0920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50240819
(CHEMBL4084119)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50240819
(CHEMBL4084119)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](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](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240692
(CHEMBL4078588)Show SMILES Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r| Show InChI InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240694
(CHEMBL4067722)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240693
(CHEMBL4097569)Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r| Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50135213
(CHEMBL3747016)Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1 |r| Show InChI InChI=1S/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/m0/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349762
(2-[(4-{6-[(2,4-difluorobenzyl)oxy]pyridin-2-yl}pip...)Show SMILES CCn1cncc1Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(F)cc3F)n2)nc2ccc(cc12)C(O)=O Show InChI InChI=1S/C32H32F2N6O3/c1-2-39-20-35-16-25(39)17-40-29-14-22(32(41)42)7-9-28(29)36-30(40)18-38-12-10-21(11-13-38)27-4-3-5-31(37-27)43-19-23-6-8-24(33)15-26(23)34/h3-9,14-16,20-21H,2,10-13,17-19H2,1H3,(H,41,42) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349662
(2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy...)Show SMILES OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc(OCc4ccc(cc4F)C#N)n3)n(C[C@@H]3CCO3)c2c1 Show InChI InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349662
(2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy...)Show SMILES OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc(OCc4ccc(cc4F)C#N)n3)n(C[C@@H]3CCO3)c2c1 Show InChI InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM349662
(2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy...)Show SMILES OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc(OCc4ccc(cc4F)C#N)n3)n(C[C@@H]3CCO3)c2c1 Show InChI InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | PDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM50240694
(CHEMBL4067722)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1 | KEGG
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| n/a | n/a | 5.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE11A4 (unknown origin) |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50606277
(CHEMBL5206786)Show SMILES Cn1c(CN2CCC(CC2)c2nc(OCc3ccc(Cl)cc3F)ncc2F)nc2ccccc12 | PDB
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| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50606278
(CHEMBL5209130)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccncc12 | PDB
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| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50606279
(CHEMBL5208289)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2nccc(NCC(O)=O)c12 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM349684
(2-((4-(6-((4-Chloro-2-fluorobenzyl)oxy)pyridin-2-y...)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccc(nc12)C(O)=O Show InChI InChI=1S/C26H25ClFN5O3/c1-32-23(29-21-7-8-22(26(34)35)31-25(21)32)14-33-11-9-16(10-12-33)20-3-2-4-24(30-20)36-15-17-5-6-18(27)13-19(17)28/h2-8,13,16H,9-12,14-15H2,1H3,(H,34,35) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50240694
(CHEMBL4067722)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M3 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 m... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240694
(CHEMBL4067722)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as increase in cAMP accumulation after 2 hrs by cAMP-G... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50240694
(CHEMBL4067722)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 m... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240695
(CHEMBL4094233)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H25N3O3/c1-16-11-19-14-26(22-7-10-30-15-23(22)28)24(29)21(19)13-18(16)12-17-3-5-20(6-4-17)27-9-2-8-25-27/h2-6,8-9,11,13,22-23,28H,7,10,12,14-15H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240699
(CHEMBL4066701)Show SMILES Cc1cc2CCN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H27N3O3/c1-17-13-19-7-11-27(23-8-12-31-16-24(23)29)25(30)22(19)15-20(17)14-18-3-5-21(6-4-18)28-10-2-9-26-28/h2-6,9-10,13,15,23-24,29H,7-8,11-12,14,16H2,1H3/t23-,24-/m0/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240700
(CHEMBL4072572)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cscn1 |r| Show InChI InChI=1S/C24H24N2O3S/c1-15-8-19-11-26(22-6-7-29-12-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-13-30-14-25-21/h2-5,8,10,13-14,22-23,27H,6-7,9,11-12H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240702
(CHEMBL4063980)Show SMILES Cc1nc(co1)-c1ccc(Cc2cc3C(=O)N(Cc3cc2C)[C@H]2CCOC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C25H26N2O4/c1-15-9-20-12-27(23-7-8-30-14-24(23)28)25(29)21(20)11-19(15)10-17-3-5-18(6-4-17)22-13-31-16(2)26-22/h3-6,9,11,13,23-24,28H,7-8,10,12,14H2,1-2H3/t23-,24-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240703
(CHEMBL4085548)Show SMILES Cc1nc(co1)-c1ccc(Cc2cc3C(=O)N(CCc3cc2C)[C@H]2CCOC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C26H28N2O4/c1-16-11-20-7-9-28(24-8-10-31-15-25(24)29)26(30)22(20)13-21(16)12-18-3-5-19(6-4-18)23-14-32-17(2)27-23/h3-6,11,13-14,24-25,29H,7-10,12,15H2,1-2H3/t24-,25-/m0/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240694
(CHEMBL4067722)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240704
(CHEMBL4088915)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H27N3O3/c1-16-9-20-14-28(23-7-8-31-15-24(23)29)25(30)22(20)11-19(16)10-17-3-5-18(6-4-17)21-12-26-27(2)13-21/h3-6,9,11-13,23-24,29H,7-8,10,14-15H2,1-2H3/t23-,24-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240705
(CHEMBL4067692)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1ccnc1 |r| Show InChI InChI=1S/C24H25N3O3/c1-16-10-19-13-27(22-6-9-30-14-23(22)28)24(29)21(19)12-18(16)11-17-2-4-20(5-3-17)26-8-7-25-15-26/h2-5,7-8,10,12,15,22-23,28H,6,9,11,13-14H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240692
(CHEMBL4078588)Show SMILES Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r| Show InChI InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50135213
(CHEMBL3747016)Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1 |r| Show InChI InChI=1S/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240693
(CHEMBL4097569)Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r| Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240692
(CHEMBL4078588)Show SMILES Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r| Show InChI InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 m... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50135213
(CHEMBL3747016)Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1 |r| Show InChI InChI=1S/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 m... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240693
(CHEMBL4097569)Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r| Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 m... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50240694
(CHEMBL4067722)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M2 expressed in CHO cells assessed as increase in cAMP accumulation after 2 hrs by cAMP-G... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240706
(CHEMBL4093295)Show SMILES Cc1cc2CCN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cscn1 |r| Show InChI InChI=1S/C25H26N2O3S/c1-16-10-19-6-8-27(23-7-9-30-13-24(23)28)25(29)21(19)12-20(16)11-17-2-4-18(5-3-17)22-14-31-15-26-22/h2-5,10,12,14-15,23-24,28H,6-9,11,13H2,1H3/t23-,24-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240707
(CHEMBL4088940)Show SMILES Cc1cc2CCN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C25H26N2O4/c1-16-10-19-6-8-27(23-7-9-30-14-24(23)28)25(29)21(19)12-20(16)11-17-2-4-18(5-3-17)22-13-31-15-26-22/h2-5,10,12-13,15,23-24,28H,6-9,11,14H2,1H3/t23-,24-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240708
(CHEMBL4096607)Show SMILES Cc1cn(cn1)-c1ccc(Cc2cc3C(=O)N(Cc3cc2C)[C@H]2CCOC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C25H27N3O3/c1-16-9-20-13-28(23-7-8-31-14-24(23)29)25(30)22(20)11-19(16)10-18-3-5-21(6-4-18)27-12-17(2)26-15-27/h3-6,9,11-12,15,23-24,29H,7-8,10,13-14H2,1-2H3/t23-,24-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal... |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50606277
(CHEMBL5206786)Show SMILES Cn1c(CN2CCC(CC2)c2nc(OCc3ccc(Cl)cc3F)ncc2F)nc2ccccc12 | PDB
UniProtKB/SwissProt
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50606278
(CHEMBL5209130)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccncc12 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50606279
(CHEMBL5208289)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2nccc(NCC(O)=O)c12 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349684
(2-((4-(6-((4-Chloro-2-fluorobenzyl)oxy)pyridin-2-y...)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccc(nc12)C(O)=O Show InChI InChI=1S/C26H25ClFN5O3/c1-32-23(29-21-7-8-22(26(34)35)31-25(21)32)14-33-11-9-16(10-12-33)20-3-2-4-24(30-20)36-15-17-5-6-18(27)13-19(17)28/h2-8,13,16H,9-12,14-15H2,1H3,(H,34,35) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349662
(2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy...)Show SMILES OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc(OCc4ccc(cc4F)C#N)n3)n(C[C@@H]3CCO3)c2c1 Show InChI InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50606277
(CHEMBL5206786)Show SMILES Cn1c(CN2CCC(CC2)c2nc(OCc3ccc(Cl)cc3F)ncc2F)nc2ccccc12 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50606278
(CHEMBL5209130)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccncc12 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM50606279
(CHEMBL5208289)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2nccc(NCC(O)=O)c12 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349684
(2-((4-(6-((4-Chloro-2-fluorobenzyl)oxy)pyridin-2-y...)Show SMILES Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccc(nc12)C(O)=O Show InChI InChI=1S/C26H25ClFN5O3/c1-32-23(29-21-7-8-22(26(34)35)31-25(21)32)14-33-11-9-16(10-12-33)20-3-2-4-24(30-20)36-15-17-5-6-18(27)13-19(17)28/h2-8,13,16H,9-12,14-15H2,1H3,(H,34,35) | PDB
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| n/a | n/a | n/a | n/a | 95 | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349662
(2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy...)Show SMILES OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc(OCc4ccc(cc4F)C#N)n3)n(C[C@@H]3CCO3)c2c1 Show InChI InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM349762
(2-[(4-{6-[(2,4-difluorobenzyl)oxy]pyridin-2-yl}pip...)Show SMILES CCn1cncc1Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(F)cc3F)n2)nc2ccc(cc12)C(O)=O Show InChI InChI=1S/C32H32F2N6O3/c1-2-39-20-35-16-25(39)17-40-29-14-22(32(41)42)7-9-28(29)36-30(40)18-38-12-10-21(11-13-38)27-4-3-5-31(37-27)43-19-23-6-8-24(33)15-26(23)34/h3-9,14-16,20-21H,2,10-13,17-19H2,1H3,(H,41,42) | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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| n/a | n/a | n/a | n/a | 0.0610 | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01856
BindingDB Entry DOI: 10.7270/Q2736W0V |
More data for this
Ligand-Target Pair | |
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