Found 22 hits Enz. Inhib. hit(s) with all data for entry = 5312 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 M1
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| 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 | UniProtKB/SwissProt
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| 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 | PDB
Reactome pathway
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | UniProtKB/SwissProt
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| 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 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| 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 | Reactome pathway
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| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
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| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| 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 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM82372
(CAS_22254-24-6 | Ipratropium | NSC_3746)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | Reactome pathway
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | Reactome pathway
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | PDB
Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | PDB
Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | UniProtKB/SwissProt
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | Reactome pathway
KEGG
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| PC cid
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| PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway
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| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | PDB
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM85787
(Compound A)Show SMILES Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this
Ligand-Target Pair | |
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