Found 74 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240552
(CHEMBL195)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from recombinant human M4 receptor expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from recombinant human M4 receptor expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240536
(CHEMBL4088103)Show SMILES Fc1ccc(F)c(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-21(27)22(13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240536
(CHEMBL4088103)Show SMILES Fc1ccc(F)c(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-21(27)22(13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240539
(CHEMBL4103428)Show SMILES Fc1cc(Cl)ccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H24ClFN4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240533
(CHEMBL4096143)Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240533
(CHEMBL4096143)Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240547
(CHEMBL4083681)Show SMILES Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C25H25ClN4O2/c26-21-5-7-22(8-6-21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-3-1-2-4-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240547
(CHEMBL4083681)Show SMILES Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C25H25ClN4O2/c26-21-5-7-22(8-6-21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-3-1-2-4-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240539
(CHEMBL4103428)Show SMILES Fc1cc(Cl)ccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H24ClFN4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240535
(CHEMBL4104456)Show SMILES Fc1cccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1F Show InChI InChI=1S/C25H24F2N4O2/c26-20-6-3-7-21(24(20)27)33-23-14-22(28-16-29-23)30-11-9-18(10-12-30)25(32)31-13-8-17-4-1-2-5-19(17)15-31/h1-7,14,16,18H,8-13,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240535
(CHEMBL4104456)Show SMILES Fc1cccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1F Show InChI InChI=1S/C25H24F2N4O2/c26-20-6-3-7-21(24(20)27)33-23-14-22(28-16-29-23)30-11-9-18(10-12-30)25(32)31-13-8-17-4-1-2-5-19(17)15-31/h1-7,14,16,18H,8-13,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240531
(CHEMBL4094531)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C25H25FN4O2/c26-21-5-7-22(8-6-21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-3-1-2-4-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240531
(CHEMBL4094531)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C25H25FN4O2/c26-21-5-7-22(8-6-21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-3-1-2-4-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M1 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240550
(CHEMBL4093252)Show SMILES Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(Cl)c1 Show InChI InChI=1S/C25H24Cl2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240550
(CHEMBL4093252)Show SMILES Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(Cl)c1 Show InChI InChI=1S/C25H24Cl2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240532
(CHEMBL4060844)Show SMILES Fc1cccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1 Show InChI InChI=1S/C25H25FN4O2/c26-21-6-3-7-22(14-21)32-24-15-23(27-17-28-24)29-11-9-19(10-12-29)25(31)30-13-8-18-4-1-2-5-20(18)16-30/h1-7,14-15,17,19H,8-13,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240528
(CHEMBL4083448)Show SMILES Cc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C26H28N4O2/c1-19-6-8-23(9-7-19)32-25-16-24(27-18-28-25)29-13-11-21(12-14-29)26(31)30-15-10-20-4-2-3-5-22(20)17-30/h2-9,16,18,21H,10-15,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240528
(CHEMBL4083448)Show SMILES Cc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C26H28N4O2/c1-19-6-8-23(9-7-19)32-25-16-24(27-18-28-25)29-13-11-21(12-14-29)26(31)30-15-10-20-4-2-3-5-22(20)17-30/h2-9,16,18,21H,10-15,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240532
(CHEMBL4060844)Show SMILES Fc1cccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1 Show InChI InChI=1S/C25H25FN4O2/c26-21-6-3-7-22(14-21)32-24-15-23(27-17-28-24)29-11-9-19(10-12-29)25(31)30-13-8-18-4-1-2-5-20(18)16-30/h1-7,14-15,17,19H,8-13,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240547
(CHEMBL4083681)Show SMILES Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C25H25ClN4O2/c26-21-5-7-22(8-6-21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-3-1-2-4-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 313 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M1 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240533
(CHEMBL4096143)Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 322 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M1 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240543
(CHEMBL4096589)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M2 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240543
(CHEMBL4096589)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240546
(CHEMBL4085711)Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50240547
(CHEMBL4083681)Show SMILES Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C25H25ClN4O2/c26-21-5-7-22(8-6-21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-3-1-2-4-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 352 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M2 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50240547
(CHEMBL4083681)Show SMILES Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C25H25ClN4O2/c26-21-5-7-22(8-6-21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-3-1-2-4-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 365 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M3 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240546
(CHEMBL4085711)Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M3 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50240533
(CHEMBL4096143)Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M2 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50240533
(CHEMBL4096143)Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 404 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M3 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240551
(CHEMBL4084528)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCC3CCCCC3C2)c(F)c1 Show InChI InChI=1S/C25H30F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h5-6,13-14,16-19H,1-4,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240551
(CHEMBL4084528)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCC3CCCCC3C2)c(F)c1 Show InChI InChI=1S/C25H30F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h5-6,13-14,16-19H,1-4,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240534
(CHEMBL4063633)Show SMILES COc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C26H28N4O3/c1-32-22-6-8-23(9-7-22)33-25-16-24(27-18-28-25)29-13-11-20(12-14-29)26(31)30-15-10-19-4-2-3-5-21(19)17-30/h2-9,16,18,20H,10-15,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50240543
(CHEMBL4096589)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2 | PDB
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PubMed
| n/a | n/a | 478 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at rat M4 receptor by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240534
(CHEMBL4063633)Show SMILES COc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C26H28N4O3/c1-32-22-6-8-23(9-7-22)33-25-16-24(27-18-28-25)29-13-11-20(12-14-29)26(31)30-15-10-19-4-2-3-5-21(19)17-30/h2-9,16,18,20H,10-15,17H2,1H3 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240549
(CHEMBL4099192)Show SMILES O=C(C1CCN(CC1)c1cc(Oc2ccc3OCOc3c2)ncn1)N1CCc2ccccc2C1 Show InChI InChI=1S/C26H26N4O4/c31-26(30-12-7-18-3-1-2-4-20(18)15-30)19-8-10-29(11-9-19)24-14-25(28-16-27-24)34-21-5-6-22-23(13-21)33-17-32-22/h1-6,13-14,16,19H,7-12,15,17H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M5 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240549
(CHEMBL4099192)Show SMILES O=C(C1CCN(CC1)c1cc(Oc2ccc3OCOc3c2)ncn1)N1CCc2ccccc2C1 Show InChI InChI=1S/C26H26N4O4/c31-26(30-12-7-18-3-1-2-4-20(18)15-30)19-8-10-29(11-9-19)24-14-25(28-16-27-24)34-21-5-6-22-23(13-21)33-17-32-22/h1-6,13-14,16,19H,7-12,15,17H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50240543
(CHEMBL4096589)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M2 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240543
(CHEMBL4096589)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M1 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50240543
(CHEMBL4096589)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at rat M4 receptor by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50240546
(CHEMBL4085711)Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | 562 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at rat M4 receptor by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240541
(CHEMBL4074229)Show SMILES COc1ccc2CN(CCc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1 Show InChI InChI=1S/C26H26F2N4O3/c1-34-21-4-2-19-15-32(11-8-18(19)12-21)26(33)17-6-9-31(10-7-17)24-14-25(30-16-29-24)35-23-5-3-20(27)13-22(23)28/h2-5,12-14,16-17H,6-11,15H2,1H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 562 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240541
(CHEMBL4074229)Show SMILES COc1ccc2CN(CCc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1 Show InChI InChI=1S/C26H26F2N4O3/c1-34-21-4-2-19-15-32(11-8-18(19)12-21)26(33)17-6-9-31(10-7-17)24-14-25(30-16-29-24)35-23-5-3-20(27)13-22(23)28/h2-5,12-14,16-17H,6-11,15H2,1H3 | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50240546
(CHEMBL4085711)Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3 | PDB
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PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at rat M4 receptor by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240527
(CHEMBL4061637)Show SMILES O=C(C1CCN(CC1)c1cc(Oc2ccccc2)ncn1)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H26N4O2/c30-25(29-15-10-19-6-4-5-7-21(19)17-29)20-11-13-28(14-12-20)23-16-24(27-18-26-23)31-22-8-2-1-3-9-22/h1-9,16,18,20H,10-15,17H2 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 617 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240527
(CHEMBL4061637)Show SMILES O=C(C1CCN(CC1)c1cc(Oc2ccccc2)ncn1)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H26N4O2/c30-25(29-15-10-19-6-4-5-7-21(19)17-29)20-11-13-28(14-12-20)23-16-24(27-18-26-23)31-22-8-2-1-3-9-22/h1-9,16,18,20H,10-15,17H2 | PDB
Reactome pathway
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CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50240543
(CHEMBL4096589)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M3 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240529
(CHEMBL4072231)Show SMILES O=C(C1CCN(CC1)c1cc(Oc2ccc3ccccc3c2)ncn1)N1CCc2ccccc2C1 Show InChI InChI=1S/C29H28N4O2/c34-29(33-16-11-22-6-2-4-8-25(22)19-33)23-12-14-32(15-13-23)27-18-28(31-20-30-27)35-26-10-9-21-5-1-3-7-24(21)17-26/h1-10,17-18,20,23H,11-16,19H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 692 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50240547
(CHEMBL4083681)Show SMILES Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C25H25ClN4O2/c26-21-5-7-22(8-6-21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-3-1-2-4-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 695 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M5 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240529
(CHEMBL4072231)Show SMILES O=C(C1CCN(CC1)c1cc(Oc2ccc3ccccc3c2)ncn1)N1CCc2ccccc2C1 Show InChI InChI=1S/C29H28N4O2/c34-29(33-16-11-22-6-2-4-8-25(22)19-33)23-12-14-32(15-13-23)27-18-28(31-20-30-27)35-26-10-9-21-5-1-3-7-24(21)17-26/h1-10,17-18,20,23H,11-16,19H2 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50240533
(CHEMBL4096143)Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2 | Reactome pathway
KEGG
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| CHEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 732 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M5 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240544
(CHEMBL4069356)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C26H26F2N4O2/c27-21-7-8-23(22(28)14-21)34-25-15-24(29-17-30-25)31-12-9-19(10-13-31)26(33)32-11-3-6-18-4-1-2-5-20(18)16-32/h1-2,4-5,7-8,14-15,17,19H,3,6,9-13,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240544
(CHEMBL4069356)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C26H26F2N4O2/c27-21-7-8-23(22(28)14-21)34-25-15-24(29-17-30-25)31-12-9-19(10-13-31)26(33)32-11-3-6-18-4-1-2-5-20(18)16-32/h1-2,4-5,7-8,14-15,17,19H,3,6,9-13,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50240543
(CHEMBL4096589)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M5 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240546
(CHEMBL4085711)Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3 | UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M1 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50240546
(CHEMBL4085711)Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M2 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50240546
(CHEMBL4085711)Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M5 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50240546
(CHEMBL4085711)Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M3 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240542
(CHEMBL4062851)Show SMILES COc1ccc2CCN(Cc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1 Show InChI InChI=1S/C26H26F2N4O3/c1-34-21-4-2-17-6-11-32(15-19(17)12-21)26(33)18-7-9-31(10-8-18)24-14-25(30-16-29-24)35-23-5-3-20(27)13-22(23)28/h2-5,12-14,16,18H,6-11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240542
(CHEMBL4062851)Show SMILES COc1ccc2CCN(Cc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1 Show InChI InChI=1S/C26H26F2N4O3/c1-34-21-4-2-17-6-11-32(15-19(17)12-21)26(33)18-7-9-31(10-8-18)24-14-25(30-16-29-24)35-23-5-3-20(27)13-22(23)28/h2-5,12-14,16,18H,6-11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240537
(CHEMBL4085498)Show SMILES Fc1cccc(F)c1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-6-3-7-21(27)24(20)33-23-14-22(28-16-29-23)30-11-9-18(10-12-30)25(32)31-13-8-17-4-1-2-5-19(17)15-31/h1-7,14,16,18H,8-13,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240537
(CHEMBL4085498)Show SMILES Fc1cccc(F)c1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-6-3-7-21(27)24(20)33-23-14-22(28-16-29-23)30-11-9-18(10-12-30)25(32)31-13-8-17-4-1-2-5-19(17)15-31/h1-7,14,16,18H,8-13,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240540
(CHEMBL4100981)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3cc(ccc3C2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H23F5N4O2/c27-20-3-4-22(21(28)12-20)37-24-13-23(32-15-33-24)34-8-5-16(6-9-34)25(36)35-10-7-17-11-19(26(29,30)31)2-1-18(17)14-35/h1-4,11-13,15-16H,5-10,14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240540
(CHEMBL4100981)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3cc(ccc3C2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H23F5N4O2/c27-20-3-4-22(21(28)12-20)37-24-13-23(32-15-33-24)34-8-5-16(6-9-34)25(36)35-10-7-17-11-19(26(29,30)31)2-1-18(17)14-35/h1-4,11-13,15-16H,5-10,14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240553
(CHEMBL4068879)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)NCc2ccccc2)c(F)c1 Show InChI InChI=1S/C23H22F2N4O2/c24-18-6-7-20(19(25)12-18)31-22-13-21(27-15-28-22)29-10-8-17(9-11-29)23(30)26-14-16-4-2-1-3-5-16/h1-7,12-13,15,17H,8-11,14H2,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240545
(CHEMBL4096165)Show SMILES CN(Cc1ccccc1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1 Show InChI InChI=1S/C24H24F2N4O2/c1-29(15-17-5-3-2-4-6-17)24(31)18-9-11-30(12-10-18)22-14-23(28-16-27-22)32-21-8-7-19(25)13-20(21)26/h2-8,13-14,16,18H,9-12,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240553
(CHEMBL4068879)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)NCc2ccccc2)c(F)c1 Show InChI InChI=1S/C23H22F2N4O2/c24-18-6-7-20(19(25)12-18)31-22-13-21(27-15-28-22)29-10-8-17(9-11-29)23(30)26-14-16-4-2-1-3-5-16/h1-7,12-13,15,17H,8-11,14H2,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240545
(CHEMBL4096165)Show SMILES CN(Cc1ccccc1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1 Show InChI InChI=1S/C24H24F2N4O2/c1-29(15-17-5-3-2-4-6-17)24(31)18-9-11-30(12-10-18)22-14-23(28-16-27-22)32-21-8-7-19(25)13-20(21)26/h2-8,13-14,16,18H,9-12,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
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