Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50048644 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/M2/M3/M4/M5
(RAT) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50028600
(1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...)Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50010594
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50010591
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50028601
(1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50028601
(1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50028599
(1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50028602
(1-(2-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...)Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-13-14-12-15(20)6-7-18(14)23-19-5-3-2-4-16(17)19/h2-7,12-13H,8-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 357 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50223642
(CHEMBL7821)Show InChI InChI=1S/C20H22N2/c1-21-10-12-22(13-11-21)20-15-17-7-3-2-6-16(17)14-18-8-4-5-9-19(18)20/h2-9,15H,10-14H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50028599
(1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50010594
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 758 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50223642
(CHEMBL7821)Show InChI InChI=1S/C20H22N2/c1-21-10-12-22(13-11-21)20-15-17-7-3-2-6-16(17)14-18-8-4-5-9-19(18)20/h2-9,15H,10-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 808 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50028598
(1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...)Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50028602
(1-(2-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...)Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-13-14-12-15(20)6-7-18(14)23-19-5-3-2-4-16(17)19/h2-7,12-13H,8-11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50028600
(1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...)Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50028598
(1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...)Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50010591
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain |
J Med Chem 25: 855-8 (1982)
BindingDB Entry DOI: 10.7270/Q2N018R2 |
More data for this
Ligand-Target Pair | |
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