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Compile Data Set for Download or QSAR

Found 420 hits with Last Name = 'budzik' and Initial = 'b'   
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))
BDBM50412728
PNG
(CHEMBL521523)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|
Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1
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0.0316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 5915-8 (2008)


Article DOI: 10.1021/jm800935u
BindingDB Entry DOI: 10.7270/Q21G0NHB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50347782
PNG
(CHEMBL1802360)
Show SMILES Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-6-8-18(9-7-16)27-15-3-12-24-13-10-17(11-14-24)25-20-5-2-1-4-19(20)23-21(25)26/h1-2,4-9,17H,3,10-15H2,(H,23,26)
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0.501n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50347782
PNG
(CHEMBL1802360)
Show SMILES Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-6-8-18(9-7-16)27-15-3-12-24-13-10-17(11-14-24)25-20-5-2-1-4-19(20)23-21(25)26/h1-2,4-9,17H,3,10-15H2,(H,23,26)
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1.26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50347782
PNG
(CHEMBL1802360)
Show SMILES Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-6-8-18(9-7-16)27-15-3-12-24-13-10-17(11-14-24)25-20-5-2-1-4-19(20)23-21(25)26/h1-2,4-9,17H,3,10-15H2,(H,23,26)
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3.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
PTGER2


(RAT)
BDBM50384444
PNG
(CHEMBL2035510)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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3.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50384444
PNG
(CHEMBL2035510)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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3.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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5.01n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human EP3


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50384445
PNG
(CHEMBL2035508)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)
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6.31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
PTGER2


(RAT)
BDBM50384445
PNG
(CHEMBL2035508)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)
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7.94n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
PTGER2


(RAT)
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
PTGER2


(RAT)
BDBM50384446
PNG
(CHEMBL2035509)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H20N2O4/c1-10(2)19(17(23)21-18(24)25-19)14-7-8-15(20-16(14)22)13-6-5-11(3)12(4)9-13/h5-10H,1-4H3,(H,20,22)(H,21,23,24)
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12.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50384446
PNG
(CHEMBL2035509)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H20N2O4/c1-10(2)19(17(23)21-18(24)25-19)14-7-8-15(20-16(14)22)13-6-5-11(3)12(4)9-13/h5-10H,1-4H3,(H,20,22)(H,21,23,24)
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19.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50384442
PNG
(CHEMBL2035507)
Show SMILES Oc1[nH]c(=O)oc1-c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22H,(H,19,21)(H,20,23)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
PTGER2


(RAT)
BDBM50384442
PNG
(CHEMBL2035507)
Show SMILES Oc1[nH]c(=O)oc1-c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22H,(H,19,21)(H,20,23)
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316n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50391743
PNG
(CHEMBL2146597)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C18H25N3O/c22-18-19-16-8-4-5-9-17(16)21(18)15-10-12-20(13-11-15)14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,19,22)
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>501n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50391743
PNG
(CHEMBL2146597)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C18H25N3O/c22-18-19-16-8-4-5-9-17(16)21(18)15-10-12-20(13-11-15)14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,19,22)
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>1.26E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50391743
PNG
(CHEMBL2146597)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C18H25N3O/c22-18-19-16-8-4-5-9-17(16)21(18)15-10-12-20(13-11-15)14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,19,22)
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>2.51E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50384442
PNG
(CHEMBL2035507)
Show SMILES Oc1[nH]c(=O)oc1-c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22H,(H,19,21)(H,20,23)
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>5.01E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor in human U2OS cells expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs by FLIPR assay


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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>5.01E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor in human U2OS cells expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs by FLIPR assay


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416151
PNG
(CHEMBL1084850)
Show SMILES OC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,20,22-23H,8-13H2
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413456
PNG
(CHEMBL495028)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)NCc2cccc(c2)-c2cccc(CN3CCNCC3)c2)CC1
Show InChI InChI=1S/C31H39N5O/c1-34-15-17-36(18-16-34)24-27-7-4-10-30(21-27)31(37)33-22-25-5-2-8-28(19-25)29-9-3-6-26(20-29)23-35-13-11-32-12-14-35/h2-10,19-21,32H,11-18,22-24H2,1H3,(H,33,37)
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413419
PNG
(CHEMBL493329)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CCN1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-19-16-30(11-10-28-19)17-21-5-3-7-23(13-21)22-6-2-4-20(12-22)15-29-27(31)24-8-9-25-26(14-24)33-18-32-25/h2-9,12-14,19,28H,10-11,15-18H2,1H3,(H,29,31)/t19-/m0/s1
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413426
PNG
(CHEMBL521986)
Show SMILES Fc1ccc(CNC(=O)c2ccc3OCOc3c2)cc1-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C26H26FN3O3/c27-23-6-4-18(15-29-26(31)21-5-7-24-25(14-21)33-17-32-24)13-22(23)20-3-1-2-19(12-20)16-30-10-8-28-9-11-30/h1-7,12-14,28H,8-11,15-17H2,(H,29,31)
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413452
PNG
(CHEMBL522020)
Show SMILES CC(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C27H29N3O2/c1-20(31)23-7-4-10-26(17-23)27(32)29-18-21-5-2-8-24(15-21)25-9-3-6-22(16-25)19-30-13-11-28-12-14-30/h2-10,15-17,28H,11-14,18-19H2,1H3,(H,29,32)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413450
PNG
(CHEMBL492978)
Show SMILES CCOc1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C27H31N3O2/c1-2-32-26-11-5-10-25(18-26)27(31)29-19-21-6-3-8-23(16-21)24-9-4-7-22(17-24)20-30-14-12-28-13-15-30/h3-11,16-18,28H,2,12-15,19-20H2,1H3,(H,29,31)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413418
PNG
(CHEMBL493328)
Show SMILES CC1CN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CCN1
Show InChI InChI=1S/C27H29N3O3/c1-19-16-30(11-10-28-19)17-21-5-3-7-23(13-21)22-6-2-4-20(12-22)15-29-27(31)24-8-9-25-26(14-24)33-18-32-25/h2-9,12-14,19,28H,10-11,15-18H2,1H3,(H,29,31)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416152
PNG
(CHEMBL1084851)
Show SMILES Clc1cccc(c1)-c1ccccc1\C=C\CC1CCNCC1
Show InChI InChI=1S/C20H22ClN/c21-19-9-4-8-18(15-19)20-10-2-1-6-17(20)7-3-5-16-11-13-22-14-12-16/h1-4,6-10,15-16,22H,5,11-14H2/b7-3+
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413445
PNG
(CHEMBL494749)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C26H29N3O3S/c1-33(31,32)25-10-4-9-24(17-25)26(30)28-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-29-13-11-27-12-14-29/h2-10,15-17,27H,11-14,18-19H2,1H3,(H,28,30)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413444
PNG
(CHEMBL492374)
Show SMILES COC(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C27H29N3O3/c1-33-27(32)25-10-4-9-24(17-25)26(31)29-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-30-13-11-28-12-14-30/h2-10,15-17,28H,11-14,18-19H2,1H3,(H,29,31)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416164
PNG
(CHEMBL1083402)
Show SMILES Clc1cccc(c1)-c1ccccc1S(=O)(=O)CCC1CCNCC1
Show InChI InChI=1S/C19H22ClNO2S/c20-17-5-3-4-16(14-17)18-6-1-2-7-19(18)24(22,23)13-10-15-8-11-21-12-9-15/h1-7,14-15,21H,8-13H2
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413427
PNG
(CHEMBL522838)
Show SMILES COc1ccc(CNC(=O)c2ccc3OCOc3c2)cc1-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C27H29N3O4/c1-32-24-7-5-19(16-29-27(31)22-6-8-25-26(15-22)34-18-33-25)14-23(24)21-4-2-3-20(13-21)17-30-11-9-28-10-12-30/h2-8,13-15,28H,9-12,16-18H2,1H3,(H,29,31)
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412734
PNG
(CHEMBL493079)
Show SMILES O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H27N3O3/c30-26(23-7-8-24-25(15-23)32-18-31-24)28-16-19-3-1-5-21(13-19)22-6-2-4-20(14-22)17-29-11-9-27-10-12-29/h1-8,13-15,27H,9-12,16-18H2,(H,28,30)
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412734
PNG
(CHEMBL493079)
Show SMILES O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H27N3O3/c30-26(23-7-8-24-25(15-23)32-18-31-24)28-16-19-3-1-5-21(13-19)22-6-2-4-20(14-22)17-29-11-9-27-10-12-29/h1-8,13-15,27H,9-12,16-18H2,(H,28,30)
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human cloned muscarinic M3 receptor expressed in CHO cells by FLIPR assay


J Med Chem 51: 5915-8 (2008)


Article DOI: 10.1021/jm800935u
BindingDB Entry DOI: 10.7270/Q21G0NHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413425
PNG
(CHEMBL492701)
Show SMILES CC1CN(Cc2cccc(n2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CCN1
Show InChI InChI=1S/C26H28N4O3/c1-18-15-30(11-10-27-18)16-22-6-3-7-23(29-22)20-5-2-4-19(12-20)14-28-26(31)21-8-9-24-25(13-21)33-17-32-24/h2-9,12-13,18,27H,10-11,14-17H2,1H3,(H,28,31)
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413420
PNG
(CHEMBL493131)
Show SMILES C[C@@H]1CN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CCN1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-19-16-30(11-10-28-19)17-21-5-3-7-23(13-21)22-6-2-4-20(12-22)15-29-27(31)24-8-9-25-26(14-24)33-18-32-25/h2-9,12-14,19,28H,10-11,15-18H2,1H3,(H,29,31)/t19-/m1/s1
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413441
PNG
(CHEMBL494741)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C26H26F3N3O/c27-26(28,29)24-9-3-8-23(16-24)25(33)31-17-19-4-1-6-21(14-19)22-7-2-5-20(15-22)18-32-12-10-30-11-13-32/h1-9,14-16,30H,10-13,17-18H2,(H,31,33)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413433
PNG
(CHEMBL495172)
Show SMILES O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H26N4O/c27-17-20-4-1-9-25(14-20)26(31)29-18-21-5-2-7-23(15-21)24-8-3-6-22(16-24)19-30-12-10-28-11-13-30/h1-9,14-16,28H,10-13,18-19H2,(H,29,31)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413414
PNG
(CHEMBL492988)
Show SMILES O=C(NCc1cccc(c1)-c1cccc(CN2C[C@@H]3C[C@H]2CN3)c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H27N3O3/c31-27(22-7-8-25-26(11-22)33-17-32-25)29-13-18-3-1-5-20(9-18)21-6-2-4-19(10-21)15-30-16-23-12-24(30)14-28-23/h1-11,23-24,28H,12-17H2,(H,29,31)/t23-,24-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347782
PNG
(CHEMBL1802360)
Show SMILES Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-6-8-18(9-7-16)27-15-3-12-24-13-10-17(11-14-24)25-20-5-2-1-4-19(20)23-21(25)26/h1-2,4-9,17H,3,10-15H2,(H,23,26)
PDB
MMDB

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n/an/a 79.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


ACS Med Chem Lett 1: 244-248 (2010)


Article DOI: 10.1021/ml100105x
BindingDB Entry DOI: 10.7270/Q20R9QGK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413435
PNG
(CHEMBL495180)
Show SMILES COc1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C26H29N3O2/c1-31-25-10-4-9-24(17-25)26(30)28-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-29-13-11-27-12-14-29/h2-10,15-17,27H,11-14,18-19H2,1H3,(H,28,30)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413474
PNG
(CHEMBL492802)
Show SMILES O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H26N4O/c27-17-20-7-9-23(10-8-20)26(31)29-18-21-3-1-5-24(15-21)25-6-2-4-22(16-25)19-30-13-11-28-12-14-30/h1-10,15-16,28H,11-14,18-19H2,(H,29,31)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413438
PNG
(CHEMBL492997)
Show SMILES Clc1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C25H26ClN3O/c26-24-9-3-8-23(16-24)25(30)28-17-19-4-1-6-21(14-19)22-7-2-5-20(15-22)18-29-12-10-27-11-13-29/h1-9,14-16,27H,10-13,17-18H2,(H,28,30)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50416159
PNG
(CHEMBL1084804)
Show SMILES Clc1cccc(c1)-c1ccccc1CC(=O)NC1CCNCC1
Show InChI InChI=1S/C19H21ClN2O/c20-16-6-3-5-14(12-16)18-7-2-1-4-15(18)13-19(23)22-17-8-10-21-11-9-17/h1-7,12,17,21H,8-11,13H2,(H,22,23)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412734
PNG
(CHEMBL493079)
Show SMILES O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H27N3O3/c30-26(23-7-8-24-25(15-23)32-18-31-24)28-16-19-3-1-5-21(13-19)22-6-2-4-20(14-22)17-29-11-9-27-10-12-29/h1-8,13-15,27H,9-12,16-18H2,(H,28,30)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human cloned muscarinic M1 expressed in CHO cells by FLIPR assay


J Med Chem 51: 5915-8 (2008)


Article DOI: 10.1021/jm800935u
BindingDB Entry DOI: 10.7270/Q21G0NHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413446
PNG
(CHEMBL494950)
Show SMILES CN(C)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C27H32N4O/c1-30(2)26-11-5-10-25(18-26)27(32)29-19-21-6-3-8-23(16-21)24-9-4-7-22(17-24)20-31-14-12-28-13-15-31/h3-11,16-18,28H,12-15,19-20H2,1-2H3,(H,29,32)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413448
PNG
(CHEMBL494752)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
Show InChI InChI=1S/C27H30N4O2/c1-20(32)30-26-10-4-9-25(17-26)27(33)29-18-21-5-2-7-23(15-21)24-8-3-6-22(16-24)19-31-13-11-28-12-14-31/h2-10,15-17,28H,11-14,18-19H2,1H3,(H,29,33)(H,30,32)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair
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