Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50037159 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 |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50100565
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 Show InChI InChI=1S/C25H27N5O3/c1-18-22-23(19-8-4-3-5-9-19)26-30(25(31)24(22)27-33-18)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)32-2/h3-11H,12-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1A adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50100565
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 Show InChI InChI=1S/C25H27N5O3/c1-18-22-23(19-8-4-3-5-9-19)26-30(25(31)24(22)27-33-18)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)32-2/h3-11H,12-17H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1D adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL 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 |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1D adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50030614
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1D adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1D adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50030614
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1B adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50130338
((S)-2,9-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquin...)Show InChI InChI=1S/C19H21NO4/c1-23-18-9-13-12(8-17(18)22)5-6-20-10-14-11(7-15(13)20)3-4-16(21)19(14)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1D adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50100565
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 Show InChI InChI=1S/C25H27N5O3/c1-18-22-23(19-8-4-3-5-9-19)26-30(25(31)24(22)27-33-18)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)32-2/h3-11H,12-17H2,1-2H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1B adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50030614
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1A adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1B adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1A adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 294 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1A adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50100553
(6-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-3-me...)Show SMILES COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 Show InChI InChI=1S/C24H25N5O3/c1-17-21-22(18-8-4-3-5-9-18)25-29(24(30)23(21)26-32-17)16-27-12-14-28(15-13-27)19-10-6-7-11-20(19)31-2/h3-11H,12-16H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1D adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50130338
((S)-2,9-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquin...)Show InChI InChI=1S/C19H21NO4/c1-23-18-9-13-12(8-17(18)22)5-6-20-10-14-11(7-15(13)20)3-4-16(21)19(14)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1B adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50130338
((S)-2,9-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquin...)Show InChI InChI=1S/C19H21NO4/c1-23-18-9-13-12(8-17(18)22)5-6-20-10-14-11(7-15(13)20)3-4-16(21)19(14)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 616 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1A adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1B adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |