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5 similar compounds to monomer 50111337

Compile data set for download or QSAR
Wt: 501.6
BDBM50111328
Wt: 486.7
BDBM50111332
Wt: 486.7
BDBM50111339
Wt: 488.6
BDBM50111341
Wt: 502.6
BDBM50111355

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50111328,50111332,50111339,50111341,50111355   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50111332
PNG
(CHEMBL276239 | [4-(4-Isopropylsulfanyl-benzyl)-[1,...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H38N2OS/c1-23(2)35-28-12-10-24(11-13-28)22-25-14-18-32(19-15-25)27-16-20-33(21-17-27)31(34)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,23,25,27H,14-22H2,1-2H3
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.


Bioorg Med Chem Lett 12: 1087-91 (2002)


Article DOI: 10.1016/s0960-894x(02)00096-3
BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50111332
PNG
(CHEMBL276239 | [4-(4-Isopropylsulfanyl-benzyl)-[1,...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H38N2OS/c1-23(2)35-28-12-10-24(11-13-28)22-25-14-18-32(19-15-25)27-16-20-33(21-17-27)31(34)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,23,25,27H,14-22H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Muscarinic acetylcholine receptor M2


J Med Chem 45: 5415-8 (2002)


Article DOI: 10.1021/jm0255163
BindingDB Entry DOI: 10.7270/Q2ST7P6N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50111328
PNG
(2-{4-[1'-(Naphthalene-1-carbonyl)-[1,4']bipiperidi...)
Show SMILES NC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H35N3O2S/c31-29(34)21-36-26-10-8-22(9-11-26)20-23-12-16-32(17-13-23)25-14-18-33(19-15-25)30(35)28-7-3-5-24-4-1-2-6-27(24)28/h1-11,23,25H,12-21H2,(H2,31,34)
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18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.


Bioorg Med Chem Lett 12: 1087-91 (2002)


Article DOI: 10.1016/s0960-894x(02)00096-3
BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50111341
PNG
(CHEMBL275347 | {4-[4-(2-Hydroxy-ethylsulfanyl)-ben...)
Show SMILES OCCSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c33-20-21-35-27-10-8-23(9-11-27)22-24-12-16-31(17-13-24)26-14-18-32(19-15-26)30(34)29-7-3-5-25-4-1-2-6-28(25)29/h1-11,24,26,33H,12-22H2
PDB

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26n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.


Bioorg Med Chem Lett 12: 1087-91 (2002)


Article DOI: 10.1016/s0960-894x(02)00096-3
BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50111339
PNG
(CHEMBL273439 | [4-(4-Isopropylsulfanyl-benzyl)-[1,...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C31H38N2OS/c1-23(2)35-30-11-7-24(8-12-30)21-25-13-17-32(18-14-25)29-15-19-33(20-16-29)31(34)28-10-9-26-5-3-4-6-27(26)22-28/h3-12,22-23,25,29H,13-21H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
241n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.


Bioorg Med Chem Lett 12: 1087-91 (2002)


Article DOI: 10.1016/s0960-894x(02)00096-3
BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50111355
PNG
(CHEMBL11710 | {4-[1'-(Naphthalene-1-carbonyl)-[1,4...)
Show SMILES OC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H34N2O3S/c33-29(34)21-36-26-10-8-22(9-11-26)20-23-12-16-31(17-13-23)25-14-18-32(19-15-25)30(35)28-7-3-5-24-4-1-2-6-27(24)28/h1-11,23,25H,12-21H2,(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.


Bioorg Med Chem Lett 12: 1087-91 (2002)


Article DOI: 10.1016/s0960-894x(02)00096-3
BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair