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Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with all data for entry = 50018586   
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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0.0640n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609869
PNG
(CHEMBL5281043)
Show SMILES NCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609879
PNG
(CHEMBL5271406)
Show SMILES CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCS(O)(=O)=O)c2ccccc12 |c:9|
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0.140n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609883
PNG
(CHEMBL5285607)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|
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0.150n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609870
PNG
(CHEMBL5270870)
Show SMILES NCCCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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0.230n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609868
PNG
(CHEMBL5284000)
Show SMILES NCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1
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0.280n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609874
PNG
(CHEMBL5265833)
Show SMILES Fc1ccc(NC(=O)OCC2CCN(CCCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
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0.320n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609868
PNG
(CHEMBL5284000)
Show SMILES NCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1
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0.340n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609870
PNG
(CHEMBL5270870)
Show SMILES NCCCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
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0.350n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609869
PNG
(CHEMBL5281043)
Show SMILES NCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
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0.430n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50609878
PNG
(CHEMBL5289601)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609876
PNG
(CHEMBL5289667)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50609876
PNG
(CHEMBL5289667)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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0.620n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609872
PNG
(CHEMBL5270925)
Show SMILES Fc1ccc(NC(=O)OC2CCN(CCCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
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0.630n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609874
PNG
(CHEMBL5265833)
Show SMILES Fc1ccc(NC(=O)OCC2CCN(CCCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
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0.640n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609879
PNG
(CHEMBL5271406)
Show SMILES CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCS(O)(=O)=O)c2ccccc12 |c:9|
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0.730n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609873
PNG
(CHEMBL5279174)
Show SMILES Fc1ccc(NC(=O)OCC2CCN(CCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50609876
PNG
(CHEMBL5289667)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50609879
PNG
(CHEMBL5271406)
Show SMILES CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCS(O)(=O)=O)c2ccccc12 |c:9|
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0.870n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50609877
PNG
(CHEMBL5273907)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50609870
PNG
(CHEMBL5270870)
Show SMILES NCCCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
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0.920n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609872
PNG
(CHEMBL5270925)
Show SMILES Fc1ccc(NC(=O)OC2CCN(CCCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
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Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609876
PNG
(CHEMBL5289667)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50609878
PNG
(CHEMBL5289601)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609883
PNG
(CHEMBL5285607)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609873
PNG
(CHEMBL5279174)
Show SMILES Fc1ccc(NC(=O)OCC2CCN(CCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
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1.30n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50609869
PNG
(CHEMBL5281043)
Show SMILES NCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
PDB

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1.40n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50609883
PNG
(CHEMBL5285607)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609883
PNG
(CHEMBL5285607)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50609868
PNG
(CHEMBL5284000)
Show SMILES NCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50609884
PNG
(CHEMBL5289083)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609871
PNG
(CHEMBL5287315)
Show SMILES Fc1ccc(NC(=O)OC2CCN(CCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609878
PNG
(CHEMBL5289601)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609867
PNG
(CHEMBL5282659)
Show SMILES NCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609884
PNG
(CHEMBL5289083)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609871
PNG
(CHEMBL5287315)
Show SMILES Fc1ccc(NC(=O)OC2CCN(CCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609881
PNG
(CHEMBL5267836)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(CC5)OC(=O)Nc5ccc(F)cc5-c5ccc(F)c(Cl)c5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(16.94,9.27,;16.94,7.73,;18.27,6.96,;15.6,6.96,;15.61,5.43,;14.28,4.65,;12.94,5.42,;11.6,4.65,;11.6,3.11,;10.27,2.34,;10.27,.81,;11.6,.04,;12.94,.81,;12.93,2.35,;14.47,2.35,;15.24,3.68,;15.24,1.02,;11.6,-1.5,;10.46,-2.53,;11.08,-3.94,;10.31,-5.27,;8.77,-5.27,;8,-6.61,;6.46,-6.61,;5.69,-7.94,;4.15,-7.94,;3.12,-6.8,;1.72,-7.42,;.38,-6.65,;-.95,-7.42,;-2.28,-6.65,;-3.62,-7.42,;-4.95,-6.65,;-6.28,-7.42,;-7.62,-6.65,;-7.6,-5.11,;-8.93,-4.33,;-10.27,-5.09,;-10.29,-6.63,;-8.96,-7.41,;-11.6,-4.31,;-11.59,-2.77,;-10.25,-2.01,;-12.91,-1.99,;-14.25,-2.75,;-14.27,-4.28,;-15.61,-5.04,;-16.93,-4.26,;-18.27,-5.02,;-16.93,-2.73,;-15.58,-1.96,;-15.57,-.42,;-16.89,.36,;-16.88,1.89,;-15.54,2.65,;-15.53,4.19,;-14.22,1.88,;-12.88,2.64,;-14.22,.34,;1.88,-8.95,;3.38,-9.27,;12.62,-3.78,;12.94,-2.27,;10.27,5.42,;8.94,4.65,;7.6,5.42,;7.6,6.96,;8.94,7.73,;10.27,6.96,;11.6,7.73,;12.94,6.96,;14.27,7.73,;6.27,7.73,;4.94,6.96,;6.27,9.27,)|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609883
PNG
(CHEMBL5285607)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609877
PNG
(CHEMBL5273907)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609879
PNG
(CHEMBL5271406)
Show SMILES CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCS(O)(=O)=O)c2ccccc12 |c:9|
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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609867
PNG
(CHEMBL5282659)
Show SMILES NCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50609878
PNG
(CHEMBL5289601)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50609882
PNG
(CHEMBL5268503)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(20.48,-6.06,;19.16,-6.85,;19.18,-8.39,;17.81,-6.1,;16.5,-6.89,;15.15,-6.15,;15.12,-4.61,;13.78,-3.86,;12.45,-4.65,;11.11,-3.91,;9.79,-4.69,;9.82,-6.23,;11.17,-6.98,;12.48,-6.18,;13.28,-7.51,;14.82,-7.48,;12.53,-8.85,;8.5,-7.03,;7.02,-6.58,;6.14,-7.84,;4.6,-7.86,;3.81,-6.54,;2.27,-6.57,;1.48,-5.25,;-.06,-5.27,;-.86,-3.95,;-.41,-2.48,;-1.67,-1.6,;-1.69,-.06,;-3.04,.69,;-3.07,2.23,;-4.41,2.97,;-4.44,4.51,;-5.79,5.26,;-5.81,6.8,;-7.16,7.55,;-8.48,6.76,;-9.81,7.53,;-11.15,6.76,;-12.48,7.53,;-12.48,9.07,;-13.81,6.76,;-13.81,5.22,;-12.49,4.45,;-12.49,2.91,;-13.81,2.14,;-13.81,.6,;-15.15,2.9,;-15.15,4.45,;-16.48,5.22,;-17.82,4.45,;-19.14,5.22,;-19.14,6.76,;-20.48,7.53,;-17.82,7.53,;-17.82,9.07,;-16.48,6.76,;-8.45,5.22,;-7.11,4.47,;-2.9,-2.52,;-2.4,-3.98,;7.07,-9.07,;8.52,-8.57,;13.75,-2.32,;12.4,-1.57,;12.38,-.03,;13.7,.76,;15.04,.01,;15.07,-1.53,;16.42,-2.28,;16.44,-3.81,;17.78,-4.56,;13.67,2.3,;12.32,3.05,;14.99,3.09,)|
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609875
PNG
(CHEMBL5277670)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50609866
PNG
(CHEMBL5274390)
Show SMILES Fc1ccc(NC(=O)OC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609882
PNG
(CHEMBL5268503)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(20.48,-6.06,;19.16,-6.85,;19.18,-8.39,;17.81,-6.1,;16.5,-6.89,;15.15,-6.15,;15.12,-4.61,;13.78,-3.86,;12.45,-4.65,;11.11,-3.91,;9.79,-4.69,;9.82,-6.23,;11.17,-6.98,;12.48,-6.18,;13.28,-7.51,;14.82,-7.48,;12.53,-8.85,;8.5,-7.03,;7.02,-6.58,;6.14,-7.84,;4.6,-7.86,;3.81,-6.54,;2.27,-6.57,;1.48,-5.25,;-.06,-5.27,;-.86,-3.95,;-.41,-2.48,;-1.67,-1.6,;-1.69,-.06,;-3.04,.69,;-3.07,2.23,;-4.41,2.97,;-4.44,4.51,;-5.79,5.26,;-5.81,6.8,;-7.16,7.55,;-8.48,6.76,;-9.81,7.53,;-11.15,6.76,;-12.48,7.53,;-12.48,9.07,;-13.81,6.76,;-13.81,5.22,;-12.49,4.45,;-12.49,2.91,;-13.81,2.14,;-13.81,.6,;-15.15,2.9,;-15.15,4.45,;-16.48,5.22,;-17.82,4.45,;-19.14,5.22,;-19.14,6.76,;-20.48,7.53,;-17.82,7.53,;-17.82,9.07,;-16.48,6.76,;-8.45,5.22,;-7.11,4.47,;-2.9,-2.52,;-2.4,-3.98,;7.07,-9.07,;8.52,-8.57,;13.75,-2.32,;12.4,-1.57,;12.38,-.03,;13.7,.76,;15.04,.01,;15.07,-1.53,;16.42,-2.28,;16.44,-3.81,;17.78,-4.56,;13.67,2.3,;12.32,3.05,;14.99,3.09,)|
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3.10n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50609878
PNG
(CHEMBL5289601)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
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3.20n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50609880
PNG
(CHEMBL5283759)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(CC5)OC(=O)Nc5ccc(F)cc5-c5ccc(F)c(Cl)c5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(17.61,12.58,;17.61,11.04,;18.94,10.27,;16.28,10.27,;16.28,8.74,;14.95,7.96,;13.61,8.73,;12.28,7.96,;12.28,6.42,;10.94,5.65,;10.94,4.12,;12.28,3.35,;13.61,4.12,;13.61,5.66,;15.15,5.66,;15.92,6.99,;15.92,4.32,;12.28,1.81,;11.13,.78,;11.76,-.63,;10.99,-1.96,;9.45,-1.96,;8.68,-3.3,;7.14,-3.3,;6.37,-4.63,;4.83,-4.63,;3.8,-3.49,;2.39,-4.11,;1.06,-3.34,;-.28,-4.11,;-1.61,-3.34,;-2.94,-4.11,;-4.28,-3.34,;-5.61,-4.11,;-6.94,-3.34,;-8.28,-4.11,;-8.28,-5.65,;-6.94,-6.42,;-5.61,-5.65,;-9.61,-6.42,;-10.95,-5.65,;-10.95,-4.11,;-12.28,-6.42,;-12.28,-7.96,;-10.95,-8.73,;-10.95,-10.27,;-12.28,-11.04,;-12.28,-12.58,;-13.61,-10.28,;-13.61,-8.73,;-14.95,-7.96,;-16.28,-8.73,;-17.61,-7.96,;-17.61,-6.42,;-18.94,-5.65,;-16.28,-5.66,;-16.28,-4.12,;-14.95,-6.42,;2.55,-5.64,;4.06,-5.96,;13.29,-.47,;13.61,1.04,;10.94,8.73,;9.61,7.96,;8.28,8.73,;8.28,10.27,;9.61,11.04,;10.94,10.27,;12.28,11.04,;13.61,10.27,;14.94,11.04,;6.94,11.04,;5.61,10.27,;6.94,12.58,)|
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3.30n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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3.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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