Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50035472 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 |
|---|
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028902
(7,8-dichloro-2-[2-(7,8-dichloro-1,2,3,4-tetrahydro...)Show SMILES Clc1ccc2CCN(CCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl Show InChI InChI=1S/C20H20Cl4N2/c21-17-3-1-13-5-7-25(11-15(13)19(17)23)9-10-26-8-6-14-2-4-18(22)20(24)16(14)12-26/h1-4H,5-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028908
(7,8-dichloro-2-[4-(7,8-dichloro-1,2,3,4-tetrahydro...)Show SMILES Clc1ccc2CCN(CCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl Show InChI InChI=1S/C22H24Cl4N2/c23-19-5-3-15-7-11-27(13-17(15)21(19)25)9-1-2-10-28-12-8-16-4-6-20(24)22(26)18(16)14-28/h3-6H,1-2,7-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028903
(7,8-dichloro-2-[3-(7,8-dichloro-1,2,3,4-tetrahydro...)Show SMILES Clc1ccc2CCN(CCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl Show InChI InChI=1S/C21H22Cl4N2/c22-18-4-2-14-6-10-26(12-16(14)20(18)24)8-1-9-27-11-7-15-3-5-19(23)21(25)17(15)13-27/h2-5H,1,6-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028910
(7,8-dichloro-2-[6-(7,8-dichloro-1,2,3,4-tetrahydro...)Show SMILES Clc1ccc2CCN(CCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl Show InChI InChI=1S/C24H28Cl4N2/c25-21-7-5-17-9-13-29(15-19(17)23(21)27)11-3-1-2-4-12-30-14-10-18-6-8-22(26)24(28)20(18)16-30/h5-8H,1-4,9-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028901
(7,8-Dichloro-2-ethyl-1,2,3,4-tetrahydro-isoquinoli...)Show InChI InChI=1S/C11H13Cl2N/c1-2-14-6-5-8-3-4-10(12)11(13)9(8)7-14/h3-4H,2,5-7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028914
(7,8-dichloro-2-[7-(7,8-dichloro-1,2,3,4-tetrahydro...)Show SMILES Clc1ccc2CCN(CCCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl Show InChI InChI=1S/C25H30Cl4N2/c26-22-8-6-18-10-14-30(16-20(18)24(22)28)12-4-2-1-3-5-13-31-15-11-19-7-9-23(27)25(29)21(19)17-31/h6-9H,1-5,10-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028911
(7,8-dichloro-2-[8-(7,8-dichloro-1,2,3,4-tetrahydro...)Show SMILES Clc1ccc2CCN(CCCCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl Show InChI InChI=1S/C26H32Cl4N2/c27-23-9-7-19-11-15-31(17-21(19)25(23)29)13-5-3-1-2-4-6-14-32-16-12-20-8-10-24(28)26(30)22(20)18-32/h7-10H,1-6,11-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028909
(2-(7,8-Dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-e...)Show InChI InChI=1S/C11H14Cl2N2/c12-10-2-1-8-3-5-15(6-4-14)7-9(8)11(10)13/h1-2H,3-7,14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028913
(7,8-Dichloro-2-propyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C12H15Cl2N/c1-2-6-15-7-5-9-3-4-11(13)12(14)10(9)8-15/h3-4H,2,5-8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028912
(2-Benzyl-7,8-dichloro-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H15Cl2N/c17-15-7-6-13-8-9-19(11-14(13)16(15)18)10-12-4-2-1-3-5-12/h1-7H,8-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM13014
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
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
In vitro inhibitory activity against human phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028906
(7,8-dichloro-2-[5-(7,8-dichloro-1,2,3,4-tetrahydro...)Show SMILES Clc1ccc2CCN(CCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl Show InChI InChI=1S/C23H26Cl4N2/c24-20-6-4-16-8-12-28(14-18(16)22(20)26)10-2-1-3-11-29-13-9-17-5-7-21(25)23(27)19(17)15-29/h4-7H,1-3,8-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028905
(7,8-Dichloro-2-(6-phenyl-hexyl)-1,2,3,4-tetrahydro...)Show InChI InChI=1S/C21H25Cl2N/c22-20-12-11-18-13-15-24(16-19(18)21(20)23)14-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-12H,1-2,4,7-8,13-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028904
(2-(6-Bromo-hexyl)-7,8-dichloro-1,2,3,4-tetrahydro-...)Show InChI InChI=1S/C15H20BrCl2N/c16-8-3-1-2-4-9-19-10-7-12-5-6-14(17)15(18)13(12)11-19/h5-6H,1-4,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair | |
Phenylethanolamine N-methyltransferase
(Homo sapiens (Human)) | BDBM50028907
(6-(7,8-Dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-h...)Show InChI InChI=1S/C15H21Cl2NO/c16-14-6-5-12-7-9-18(11-13(12)15(14)17)8-3-1-2-4-10-19/h5-6,19H,1-4,7-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase |
J Med Chem 24: 756-9 (1981)
BindingDB Entry DOI: 10.7270/Q2DZ08VH |
More data for this
Ligand-Target Pair | |
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