BindingDB logo
myBDB logout

PubChem AID 1923

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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 M4


(RAT)		BDBM50323693
PNG
(3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h3-8H,9,18H2,1-2H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PCBioAssay
n/an/an/an/a 0.000693n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48072
PNG
(3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-prop...)
Show SMILES CC(C)NC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
Show InChI InChI=1S/C18H26N4O3S/c1-11(2)20-17(23)16-15(19)14-12(3)10-13(21-18(14)26-16)25-9-6-22-4-7-24-8-5-22/h10-11H,4-9,19H2,1-3H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 7.15E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48062
PNG
(3-amino-4-methyl-N-p-anisyl-6-propoxy-thieno[2,3-b...)
Show SMILES CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC)cc1
Show InChI InChI=1S/C20H23N3O3S/c1-4-9-26-15-10-12(2)16-17(21)18(27-20(16)23-15)19(24)22-11-13-5-7-14(25-3)8-6-13/h5-8,10H,4,9,11,21H2,1-3H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.00E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48068
PNG
(3-amino-6-[3-(dimethylamino)propoxy]-4-methyl-N-(3...)
Show SMILES CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NC1COC1
Show InChI InChI=1S/C17H24N4O3S/c1-10-7-12(24-6-4-5-21(2)3)20-17-13(10)14(18)15(25-17)16(22)19-11-8-23-9-11/h7,11H,4-6,8-9,18H2,1-3H3,(H,19,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 2.58E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48053
PNG
(3-amino-4,6-dimethyl-N-[4-(trifluoromethoxy)benzyl...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O2S/c1-9-7-10(2)24-17-13(9)14(22)15(27-17)16(25)23-8-11-3-5-12(6-4-11)26-18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00506n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48058
PNG
(3-amino-6-[2-(dimethylamino)ethoxy]-4-methyl-N-p-a...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCCN(C)C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C21H26N4O3S/c1-13-11-16(28-10-9-25(2)3)24-21-17(13)18(22)19(29-21)20(26)23-12-14-5-7-15(27-4)8-6-14/h5-8,11H,9-10,12,22H2,1-4H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.00E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48061
PNG
(3-amino-4-methyl-6-[(1-methyl-3-piperidyl)methoxy]...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCC4CCCN(C)C4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C24H30N4O3S/c1-15-11-19(31-14-17-5-4-10-28(2)13-17)27-24-20(15)21(25)22(32-24)23(29)26-12-16-6-8-18(30-3)9-7-16/h6-9,11,17H,4-5,10,12-14,25H2,1-3H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.00E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48067
PNG
(3-amino-6-amoxy-4-methyl-N-p-anisyl-thieno[2,3-b]p...)
Show SMILES CCCCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC)cc1
Show InChI InChI=1S/C22H27N3O3S/c1-4-5-6-11-28-17-12-14(2)18-19(23)20(29-22(18)25-17)21(26)24-13-15-7-9-16(27-3)10-8-15/h7-10,12H,4-6,11,13,23H2,1-3H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.00E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48069
PNG
(3-amino-N-(2,5-difluorobenzyl)-6-[3-(dimethylamino...)
Show SMILES CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C21H24F2N4O2S/c1-12-9-16(29-8-4-7-27(2)3)26-21-17(12)18(24)19(30-21)20(28)25-11-13-10-14(22)5-6-15(13)23/h5-6,9-10H,4,7-8,11,24H2,1-3H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 2.75E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48070
PNG
(3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxe...)
Show SMILES Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC3COC3)c(N)c12
Show InChI InChI=1S/C18H24N4O4S/c1-11-8-13(26-7-4-22-2-5-24-6-3-22)21-18-14(11)15(19)16(27-18)17(23)20-12-9-25-10-12/h8,12H,2-7,9-10,19H2,1H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 7.42E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48074
PNG
(3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(2-pyrid...)
Show SMILES Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-14-6-2-3-8-26-14)28-22-17(12)19(25)20(31-22)21(29)27-10-13-5-4-7-15(23)18(13)24/h2-9H,10-11,25H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 5.40E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48066
PNG
(3-amino-4-methyl-N-p-anisyl-6-(2-pyridylmethoxy)th...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCc4ccccn4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-5-3-4-10-25-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-6-8-17(29-2)9-7-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.77E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48071
PNG
(3-amino-N-(3-methoxypropyl)-4-methyl-6-(2-morpholi...)
Show SMILES COCCCNC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
Show InChI InChI=1S/C19H28N4O4S/c1-13-12-14(27-11-7-23-5-9-26-10-6-23)22-19-15(13)16(20)17(28-19)18(24)21-4-3-8-25-2/h12H,3-11,20H2,1-2H3,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 6.25E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48044
PNG
(3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyri...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 369n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48047
PNG
(3-amino-N-(3-chlorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClN3OS/c1-9-6-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-4-3-5-12(18)7-11/h3-7H,8,19H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00903n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48049
PNG
(3-amino-4,6-dimethyl-N-(4-pyridylmethyl)thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H16N4OS/c1-9-7-10(2)20-16-12(9)13(17)14(22-16)15(21)19-8-11-3-5-18-6-4-11/h3-7H,8,17H2,1-2H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00282n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM50323690
PNG
(3-amino-4,6-dimethyl-N-(4-(trifluoromethyl)benzyl)...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3OS/c1-9-7-10(2)24-17-13(9)14(22)15(26-17)16(25)23-8-11-3-5-12(6-4-11)18(19,20)21/h3-7H,8,22H2,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00242n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48063
PNG
(3-amino-6-isopropoxy-4-methyl-N-p-anisyl-thieno[2,...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OC(C)C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C20H23N3O3S/c1-11(2)26-15-9-12(3)16-17(21)18(27-20(16)23-15)19(24)22-10-13-5-7-14(25-4)8-6-13/h5-9,11H,10,21H2,1-4H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.00E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48043
PNG
(3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyrid...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 388n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48045
PNG
(3-amino-N-(2-fluorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.000873n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48055
PNG
(3-amino-N-(3,4-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)c(F)c1
Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-3-4-11(18)12(19)6-10/h3-6H,7,20H2,1-2H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00127n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48057
PNG
(3-amino-6-[3-(dimethylamino)propoxy]-4-methyl-N-p-...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCCCN(C)C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C22H28N4O3S/c1-14-12-17(29-11-5-10-26(2)3)25-22-18(14)19(23)20(30-22)21(27)24-13-15-6-8-16(28-4)9-7-15/h6-9,12H,5,10-11,13,23H2,1-4H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.00E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48076
PNG
(3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-13-5-7-26-8-6-13)28-22-17(12)19(25)20(31-22)21(29)27-10-14-3-2-4-15(23)18(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.61E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48078
PNG
(3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-phen...)
Show SMILES Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)Nc3ccccc3)c(N)c12
Show InChI InChI=1S/C21H24N4O3S/c1-14-13-16(28-12-9-25-7-10-27-11-8-25)24-21-17(14)18(22)19(29-21)20(26)23-15-5-3-2-4-6-15/h2-6,13H,7-12,22H2,1H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 5.81E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48051
PNG
(3-amino-4,6-dimethyl-N-(4-methylbenzyl)thieno[2,3-...)
Show SMILES Cc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C18H19N3OS/c1-10-4-6-13(7-5-10)9-20-17(22)16-15(19)14-11(2)8-12(3)21-18(14)23-16/h4-8H,9,19H2,1-3H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00242n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48054
PNG
(3-amino-N-(2,5-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C17H15F2N3OS/c1-8-5-9(2)22-17-13(8)14(20)15(24-17)16(23)21-7-10-6-11(18)3-4-12(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00100n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48056
PNG
(3-amino-N-(2,3-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F
Show InChI InChI=1S/C17H15F2N3OS/c1-8-6-9(2)22-17-12(8)14(20)15(24-17)16(23)21-7-10-4-3-5-11(18)13(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.000973n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48065
PNG
(3-amino-4-methyl-N-p-anisyl-6-(3-pyridylmethoxy)th...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCc4cccnc4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-14-10-18(30-13-16-4-3-9-25-11-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-5-7-17(29-2)8-6-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 2.21E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48075
PNG
(3-amino-N-(2,5-difluorobenzyl)-4-methyl-6-(2-pyrid...)
Show SMILES Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-8-17(30-11-15-4-2-3-7-26-15)28-22-18(12)19(25)20(31-22)21(29)27-10-13-9-14(23)5-6-16(13)24/h2-9H,10-11,25H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.00E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48046
PNG
(3-amino-N-(2-chlorobenzyl)-4,6-dimethyl-thieno[2,3...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-5-3-4-6-12(11)18/h3-7H,8,19H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00234n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48059
PNG
(3-amino-4-methyl-6-(2-morpholinoethoxy)-N-p-anisyl...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCCN4CCOCC4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H28N4O4S/c1-15-13-18(31-12-9-27-7-10-30-11-8-27)26-23-19(15)20(24)21(32-23)22(28)25-14-16-3-5-17(29-2)6-4-16/h3-6,13H,7-12,14,24H2,1-2H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 6.47E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48073
PNG
(3-amino-N-tert-butyl-4-methyl-6-(2-morpholin-4-yle...)
Show SMILES Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)(C)C)c(N)c12
Show InChI InChI=1S/C19H28N4O3S/c1-12-11-13(26-10-7-23-5-8-25-9-6-23)21-18-14(12)15(20)16(27-18)17(24)22-19(2,3)4/h11H,5-10,20H2,1-4H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 8.73E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48077
PNG
(3-amino-N-(2,5-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-8-17(30-11-13-4-6-26-7-5-13)28-22-18(12)19(25)20(31-22)21(29)27-10-14-9-15(23)2-3-16(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.58E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM50323691
PNG
(3-amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.000339n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48048
PNG
(3-amino-4,6-dimethyl-N-(3-methylbenzyl)thieno[2,3-...)
Show SMILES Cc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1
Show InChI InChI=1S/C18H19N3OS/c1-10-5-4-6-13(7-10)9-20-17(22)16-15(19)14-11(2)8-12(3)21-18(14)23-16/h4-8H,9,19H2,1-3H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.0102n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48052
PNG
(3-amino-N-(4-bromobenzyl)-4,6-dimethyl-thieno[2,3-...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C17H16BrN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00516n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48060
PNG
(3-amino-4-methyl-N-p-anisyl-6-(2-pyrrolidinoethoxy...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCCN4CCCC4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H28N4O3S/c1-15-13-18(30-12-11-27-9-3-4-10-27)26-23-19(15)20(24)21(31-23)22(28)25-14-16-5-7-17(29-2)8-6-16/h5-8,13H,3-4,9-12,14,24H2,1-2H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 8.24E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48064
PNG
(3-amino-4-methyl-N-p-anisyl-6-(4-pyridylmethoxy)th...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-7-9-25-10-8-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-3-5-17(29-2)6-4-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.97E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)		BDBM48050
PNG
(3-amino-4,6-dimethyl-N-(3-pyridinylmethyl)-2-thien...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C16H16N4OS/c1-9-6-10(2)20-16-12(9)13(17)14(22-16)15(21)19-8-11-4-3-5-18-7-11/h3-7H,8,17H2,1-2H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 0.00559n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%