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Compile Data Set for Download or QSAR

Found 194 hits Enz. Inhib. hit(s) with all data for entry = 50000177   
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50246607
PNG
(CHEMBL4083241)
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1.60n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50448377
PNG
(CHEMBL3121473)
Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9|
Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
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4.90n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246733
PNG
(CHEMBL4100938)
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23n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246733
PNG
(CHEMBL4100938)
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41n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246627
PNG
(CHEMBL4065555)
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63n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246733
PNG
(CHEMBL4100938)
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140n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246627
PNG
(CHEMBL4065555)
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140n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246652
PNG
(CHEMBL4102555)
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170n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50246675
PNG
(CHEMBL4099673)
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200n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246652
PNG
(CHEMBL4102555)
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210n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246627
PNG
(CHEMBL4065555)
PDB

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230n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246712
PNG
(CHEMBL4081662)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C163H247N45O41/c1-80(2)60-107(185-123(216)74-177-135(222)88(17)181-142(229)108(61-81(3)4)191-140(227)104(50-36-56-173-162(169)248)187-145(232)112(66-96-71-171-79-180-96)195-158(245)133(91(20)212)205-156(243)130(86(13)14)201-148(235)111(183-92(21)213)65-95-70-175-100-46-30-28-44-97(95)100)143(230)192-109(62-82(5)6)144(231)198-117(78-210)150(237)188-105(51-37-57-174-163(170)249)141(228)197-116(77-209)137(224)178-72-122(215)176-73-124(217)199-128(84(9)10)155(242)202-129(85(11)12)154(241)189-103(49-33-35-55-172-161(167)168)138(225)186-102(48-32-34-54-164)139(226)194-113(68-121(165)214)146(233)193-110(64-94-42-26-23-27-43-94)147(234)203-131(87(15)16)160(247)207-59-38-52-118(207)151(238)204-132(90(19)211)157(244)196-114(69-126(219)220)149(236)200-127(83(7)8)153(240)179-75-125(218)206-58-39-53-119(206)159(246)208-76-115-99(98-45-29-31-47-101(98)184-115)67-120(208)152(239)182-89(18)136(223)190-106(134(166)221)63-93-40-24-22-25-41-93/h22-31,40-47,70-71,79-91,102-114,116-120,127-133,175,184,209-212H,32-39,48-69,72-78,164H2,1-21H3,(H2,165,214)(H2,166,221)(H,171,180)(H,176,215)(H,177,222)(H,178,224)(H,179,240)(H,181,229)(H,182,239)(H,183,213)(H,185,216)(H,186,225)(H,187,232)(H,188,237)(H,189,241)(H,190,223)(H,191,227)(H,192,230)(H,193,233)(H,194,226)(H,195,245)(H,196,244)(H,197,228)(H,198,231)(H,199,217)(H,200,236)(H,201,235)(H,202,242)(H,203,234)(H,204,238)(H,205,243)(H,219,220)(H4,167,168,172)(H3,169,173,248)(H3,170,174,249)/t88-,89-,90+,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,116-,117-,118-,119-,120?,127-,128-,129-,130-,131-,132-,133-/m0/s1
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330n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50448377
PNG
(CHEMBL3121473)
Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9|
Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
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350n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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380n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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380n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246628
PNG
(CHEMBL4093215)
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380n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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390n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50448377
PNG
(CHEMBL3121473)
Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9|
Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
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550n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246712
PNG
(CHEMBL4081662)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C163H247N45O41/c1-80(2)60-107(185-123(216)74-177-135(222)88(17)181-142(229)108(61-81(3)4)191-140(227)104(50-36-56-173-162(169)248)187-145(232)112(66-96-71-171-79-180-96)195-158(245)133(91(20)212)205-156(243)130(86(13)14)201-148(235)111(183-92(21)213)65-95-70-175-100-46-30-28-44-97(95)100)143(230)192-109(62-82(5)6)144(231)198-117(78-210)150(237)188-105(51-37-57-174-163(170)249)141(228)197-116(77-209)137(224)178-72-122(215)176-73-124(217)199-128(84(9)10)155(242)202-129(85(11)12)154(241)189-103(49-33-35-55-172-161(167)168)138(225)186-102(48-32-34-54-164)139(226)194-113(68-121(165)214)146(233)193-110(64-94-42-26-23-27-43-94)147(234)203-131(87(15)16)160(247)207-59-38-52-118(207)151(238)204-132(90(19)211)157(244)196-114(69-126(219)220)149(236)200-127(83(7)8)153(240)179-75-125(218)206-58-39-53-119(206)159(246)208-76-115-99(98-45-29-31-47-101(98)184-115)67-120(208)152(239)182-89(18)136(223)190-106(134(166)221)63-93-40-24-22-25-41-93/h22-31,40-47,70-71,79-91,102-114,116-120,127-133,175,184,209-212H,32-39,48-69,72-78,164H2,1-21H3,(H2,165,214)(H2,166,221)(H,171,180)(H,176,215)(H,177,222)(H,178,224)(H,179,240)(H,181,229)(H,182,239)(H,183,213)(H,185,216)(H,186,225)(H,187,232)(H,188,237)(H,189,241)(H,190,223)(H,191,227)(H,192,230)(H,193,233)(H,194,226)(H,195,245)(H,196,244)(H,197,228)(H,198,231)(H,199,217)(H,200,236)(H,201,235)(H,202,242)(H,203,234)(H,204,238)(H,205,243)(H,219,220)(H4,167,168,172)(H3,169,173,248)(H3,170,174,249)/t88-,89-,90+,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,116-,117-,118-,119-,120?,127-,128-,129-,130-,131-,132-,133-/m0/s1
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620n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246712
PNG
(CHEMBL4081662)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C163H247N45O41/c1-80(2)60-107(185-123(216)74-177-135(222)88(17)181-142(229)108(61-81(3)4)191-140(227)104(50-36-56-173-162(169)248)187-145(232)112(66-96-71-171-79-180-96)195-158(245)133(91(20)212)205-156(243)130(86(13)14)201-148(235)111(183-92(21)213)65-95-70-175-100-46-30-28-44-97(95)100)143(230)192-109(62-82(5)6)144(231)198-117(78-210)150(237)188-105(51-37-57-174-163(170)249)141(228)197-116(77-209)137(224)178-72-122(215)176-73-124(217)199-128(84(9)10)155(242)202-129(85(11)12)154(241)189-103(49-33-35-55-172-161(167)168)138(225)186-102(48-32-34-54-164)139(226)194-113(68-121(165)214)146(233)193-110(64-94-42-26-23-27-43-94)147(234)203-131(87(15)16)160(247)207-59-38-52-118(207)151(238)204-132(90(19)211)157(244)196-114(69-126(219)220)149(236)200-127(83(7)8)153(240)179-75-125(218)206-58-39-53-119(206)159(246)208-76-115-99(98-45-29-31-47-101(98)184-115)67-120(208)152(239)182-89(18)136(223)190-106(134(166)221)63-93-40-24-22-25-41-93/h22-31,40-47,70-71,79-91,102-114,116-120,127-133,175,184,209-212H,32-39,48-69,72-78,164H2,1-21H3,(H2,165,214)(H2,166,221)(H,171,180)(H,176,215)(H,177,222)(H,178,224)(H,179,240)(H,181,229)(H,182,239)(H,183,213)(H,185,216)(H,186,225)(H,187,232)(H,188,237)(H,189,241)(H,190,223)(H,191,227)(H,192,230)(H,193,233)(H,194,226)(H,195,245)(H,196,244)(H,197,228)(H,198,231)(H,199,217)(H,200,236)(H,201,235)(H,202,242)(H,203,234)(H,204,238)(H,205,243)(H,219,220)(H4,167,168,172)(H3,169,173,248)(H3,170,174,249)/t88-,89-,90+,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,116-,117-,118-,119-,120?,127-,128-,129-,130-,131-,132-,133-/m0/s1
PDB

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630n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246628
PNG
(CHEMBL4093215)
Reactome pathway
KEGG

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690n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246629
PNG
(CHEMBL4073256)
UniProtKB/SwissProt

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740n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246629
PNG
(CHEMBL4073256)
Reactome pathway
KEGG

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780n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246628
PNG
(CHEMBL4093215)
PDB

UniProtKB/SwissProt

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UniChem
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790n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246727
PNG
(CHEMBL4075227)
Reactome pathway
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830n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246718
PNG
(CHEMBL4085150)
PDB

UniProtKB/SwissProt

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930n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246640
PNG
(CHEMBL4064668)
PDB

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980n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246629
PNG
(CHEMBL4073256)
PDB

UniProtKB/SwissProt

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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246718
PNG
(CHEMBL4085150)
UniProtKB/SwissProt

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UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246727
PNG
(CHEMBL4075227)
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246734
PNG
(CHEMBL4103375)
PDB

UniProtKB/SwissProt

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1.30E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246734
PNG
(CHEMBL4103375)
UniProtKB/SwissProt

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1.80E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246718
PNG
(CHEMBL4085150)
Reactome pathway
KEGG

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2.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
PDB

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2.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246727
PNG
(CHEMBL4075227)
UniProtKB/SwissProt

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2.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
PDB

UniProtKB/SwissProt

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2.04E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246652
PNG
(CHEMBL4102555)
PDB

UniProtKB/SwissProt

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2.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246724
PNG
(CHEMBL4085451)
UniProtKB/SwissProt

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2.50E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246723
PNG
(CHEMBL4103087)
UniProtKB/SwissProt

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2.90E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246734
PNG
(CHEMBL4103375)
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3.90E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246724
PNG
(CHEMBL4085451)
Reactome pathway
KEGG

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4.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246674
PNG
(CHEMBL4072787)
Reactome pathway
KEGG

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4.10E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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4.10E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246674
PNG
(CHEMBL4072787)
UniProtKB/SwissProt

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4.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246723
PNG
(CHEMBL4103087)
PDB

UniProtKB/SwissProt

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4.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246724
PNG
(CHEMBL4085451)
PDB

UniProtKB/SwissProt

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PubMed
4.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246672
PNG
(CHEMBL4094819)
UniProtKB/SwissProt

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4.50E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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4.70E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246706
PNG
(CHEMBL4071109)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C167H249N45O41/c1-83(2)62-111(189-127(220)77-181-139(226)91(17)185-146(233)112(63-84(3)4)195-144(231)108(54-39-59-177-166(173)252)191-150(237)117(69-100-74-175-82-184-100)200-163(250)137(94(20)216)210-161(248)134(89(13)14)206-153(240)116(187-95(21)217)68-99-73-179-104-50-33-31-48-101(99)104)148(235)196-113(64-85(5)6)149(236)203-122(81-214)155(242)192-109(55-40-60-178-167(174)253)145(232)202-121(80-213)141(228)182-75-126(219)180-76-128(221)204-132(87(9)10)160(247)207-133(88(11)12)159(246)193-107(53-36-38-58-176-165(171)172)142(229)190-106(52-35-37-57-168)143(230)198-118(71-125(169)218)151(238)197-115(67-98-46-29-24-30-47-98)152(239)208-135(90(15)16)164(251)211-61-41-56-123(211)156(243)209-136(93(19)215)162(249)201-119(72-130(223)224)154(241)205-131(86(7)8)158(245)183-78-129(222)212-79-120-103(102-49-32-34-51-105(102)188-120)70-124(212)157(244)199-114(66-97-44-27-23-28-45-97)147(234)186-92(18)140(227)194-110(138(170)225)65-96-42-25-22-26-43-96/h22-34,42-51,73-74,82-94,106-119,121-124,131-137,179,188,213-216H,35-41,52-72,75-81,168H2,1-21H3,(H2,169,218)(H2,170,225)(H,175,184)(H,180,219)(H,181,226)(H,182,228)(H,183,245)(H,185,233)(H,186,234)(H,187,217)(H,189,220)(H,190,229)(H,191,237)(H,192,242)(H,193,246)(H,194,227)(H,195,231)(H,196,235)(H,197,238)(H,198,230)(H,199,244)(H,200,250)(H,201,249)(H,202,232)(H,203,236)(H,204,221)(H,205,241)(H,206,240)(H,207,247)(H,208,239)(H,209,243)(H,210,248)(H,223,224)(H4,171,172,176)(H3,173,177,252)(H3,174,178,253)/t91-,92-,93+,94+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,121-,122-,123-,124?,131-,132-,133-,134-,135-,136-,137-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
More data for this
Ligand-Target Pair
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