Found 3105 hits with Last Name = 'pastor' and Initial = 'j' 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-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50163477
((3R,3aS)-7-(2-Methoxy-ethoxy)-3-[4-((E)-2-methyl-3...)Show SMILES COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:9| Show InChI InChI=1S/C28H35N3O4/c1-21(16-22-6-4-3-5-7-22)18-30-10-12-31(13-11-30)19-27-25-20-34-26-17-23(33-15-14-32-2)8-9-24(26)28(25)29-35-27/h3-9,16-17,25,27H,10-15,18-20H2,1-2H3/b21-16+/t25-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50145416
(GSK2126458 | Omipalisib)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human p110alpha/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50570237
(CHEMBL4864407)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human p110delta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50145416
(GSK2126458 | Omipalisib)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human p110delta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50579634
(CHEMBL4860369)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PI3K p110delta/p85alpha by HTRF assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91 |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50131346
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50163479
(CHEMBL176261 | Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-m...)Show SMILES CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10| Show InChI InChI=1S/C29H38N4O3/c1-22(17-23-7-5-4-6-8-23)19-32-11-13-33(14-12-32)20-28-26-21-35-27-18-24(34-16-15-31(2)3)9-10-25(27)29(26)30-36-28/h4-10,17-18,26,28H,11-16,19-21H2,1-3H3/b22-17+/t26-,28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50163468
((3R,3aS)-3-[4-((E)-2-Methyl-3-phenyl-allyl)-pipera...)Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1 |c:10| Show InChI InChI=1S/C25H29N3O3/c1-18(13-19-5-3-2-4-6-19)15-27-9-11-28(12-10-27)16-24-22-17-30-23-14-20(29)7-8-21(23)25(22)26-31-24/h2-8,13-14,22,24,29H,9-12,15-17H2,1H3/b18-13+/t22-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50024301
(CHEMBL2112985)Show SMILES [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C(C)=C\c2ccccc2)CC1 |c:16| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50570237
(CHEMBL4864407)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of p110alpha H1047R mutant/p85alpha (unknown origin) using PIP2:3PS lipid kinase as substrate in presence of ATP measured by ADP-Glo lipid... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4 |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50163477
((3R,3aS)-7-(2-Methoxy-ethoxy)-3-[4-((E)-2-methyl-3...)Show SMILES COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:9| Show InChI InChI=1S/C28H35N3O4/c1-21(16-22-6-4-3-5-7-22)18-30-10-12-31(13-11-30)19-27-25-20-34-26-17-23(33-15-14-32-2)8-9-24(26)28(25)29-35-27/h3-9,16-17,25,27H,10-15,18-20H2,1-2H3/b21-16+/t25-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2A adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50163479
(CHEMBL176261 | Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-m...)Show SMILES CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10| Show InChI InChI=1S/C29H38N4O3/c1-22(17-23-7-5-4-6-8-23)19-32-11-13-33(14-12-32)20-28-26-21-35-27-18-24(34-16-15-31(2)3)9-10-25(27)29(26)30-36-28/h4-10,17-18,26,28H,11-16,19-21H2,1-3H3/b22-17+/t26-,28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2A adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50579637
(CHEMBL4878958)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PI3K p110delta/p85alpha by HTRF assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50570237
(CHEMBL4864407)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human p110alpha/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50579637
(CHEMBL4878958)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PI3Kgamma by HTRF assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91 |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50131347
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50146501
((3R,3aS)-3-{4-[3-(2,5-Difluoro-phenyl)-2-methyl-al...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC |c:31| Show InChI InChI=1S/C27H31F2N3O4/c1-17(10-18-11-19(28)4-5-22(18)29)14-31-6-8-32(9-7-31)15-26-21-16-35-23-13-25(34-3)24(33-2)12-20(23)27(21)30-36-26/h4-5,10-13,21,26H,6-9,14-16H2,1-3H3/b17-10+/t21-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50131346
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C-adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50163491
(CHEMBL175853 | Methoxy-acetic acid (3R,3aS)-3-[4-(...)Show SMILES COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10| Show InChI InChI=1S/C28H33N3O5/c1-20(14-21-6-4-3-5-7-21)16-30-10-12-31(13-11-30)17-26-24-18-34-25-15-22(35-27(32)19-33-2)8-9-23(25)28(24)29-36-26/h3-9,14-15,24,26H,10-13,16-19H2,1-2H3/b20-14+/t24-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50163494
((3R,3aS)-7-Methoxy-3-[4-((E)-2-methyl-3-phenyl-all...)Show SMILES COc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:6| Show InChI InChI=1S/C26H31N3O3/c1-19(14-20-6-4-3-5-7-20)16-28-10-12-29(13-11-28)17-25-23-18-31-24-15-21(30-2)8-9-22(24)26(23)27-32-25/h3-9,14-15,23,25H,10-13,16-18H2,1-2H3/b19-14+/t23-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50163489
(Acetic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-a...)Show SMILES CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:8| Show InChI InChI=1S/C27H31N3O4/c1-19(14-21-6-4-3-5-7-21)16-29-10-12-30(13-11-29)17-26-24-18-32-25-15-22(33-20(2)31)8-9-23(25)27(24)28-34-26/h3-9,14-15,24,26H,10-13,16-18H2,1-2H3/b19-14+/t24-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11626
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Agricultural Sciences and Veterinary Medicine
| Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... |
J Med Chem 46: 2187-96 (2003)
Article DOI: 10.1021/jm021123s BindingDB Entry DOI: 10.7270/Q2XK8CR9 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50163468
((3R,3aS)-3-[4-((E)-2-Methyl-3-phenyl-allyl)-pipera...)Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1 |c:10| Show InChI InChI=1S/C25H29N3O3/c1-18(13-19-5-3-2-4-6-19)15-27-9-11-28(12-10-27)16-24-22-17-30-23-14-20(29)7-8-21(23)25(22)26-31-24/h2-8,13-14,22,24,29H,9-12,15-17H2,1H3/b18-13+/t22-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2A adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50146502
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C25H31N3O4S/c1-17(24-5-4-12-33-24)6-7-27-8-10-28(11-9-27)15-23-19-16-31-20-14-22(30-3)21(29-2)13-18(20)25(19)26-32-23/h4-6,12-14,19,23H,7-11,15-16H2,1-3H3/b17-6+/t19-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50131347
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50146506
((3R,3aS)-3-{4-[3-(3-Fluoro-phenyl)-2-methyl-allyl]...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(11-19-5-4-6-20(28)12-19)15-30-7-9-31(10-8-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-6,11-14,22,26H,7-10,15-17H2,1-3H3/b18-11+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50131346
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50146510
((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-thiophen-3...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccsc5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C25H31N3O4S/c1-17(10-18-4-9-33-16-18)13-27-5-7-28(8-6-27)14-24-20-15-31-21-12-23(30-3)22(29-2)11-19(21)25(20)26-32-24/h4,9-12,16,20,24H,5-8,13-15H2,1-3H3/b17-10+/t20-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50131353
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine |
Bioorg Med Chem Lett 13: 2719-25 (2003)
BindingDB Entry DOI: 10.7270/Q2T43SGC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50146498
((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-thiophen-2...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccs5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C25H31N3O4S/c1-17(11-18-5-4-10-33-18)14-27-6-8-28(9-7-27)15-24-20-16-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,10-13,20,24H,6-9,14-16H2,1-3H3/b17-11+/t20-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50163475
((3R,3aS)-7-[2-(2-Ethoxy-ethoxy)-ethoxy]-3-[4-((E)-...)Show SMILES CCOCCOCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:13| Show InChI InChI=1S/C31H41N3O5/c1-3-35-15-16-36-17-18-37-26-9-10-27-29(20-26)38-23-28-30(39-32-31(27)28)22-34-13-11-33(12-14-34)21-24(2)19-25-7-5-4-6-8-25/h4-10,19-20,28,30H,3,11-18,21-23H2,1-2H3/b24-19+/t28-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50579634
(CHEMBL4860369)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PI3K p110alpha/p85alpha by HTRF assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50579637
(CHEMBL4878958)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| Article PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PI3K p110alpha/p85alpha by HTRF assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50570237
(CHEMBL4864407)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of p110alpha E542K mutant/p85alpha (unknown origin) using PIP2:3PS lipid kinase as substrate in presence of ATP measured by ADP-Glo lipid ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4 |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50131347
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Inhibition of [3H]- rauwolscine binding to human alpha-2A adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50131346
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Inhibition of [3H]- rauwolscine binding to human alpha-2A adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50163483
(CHEMBL175911 | Cyclopropanecarboxylic acid (3R,3aS...)Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C4CC4)ccc32)CC1)=C/c1ccccc1 |c:10| Show InChI InChI=1S/C29H33N3O4/c1-20(15-21-5-3-2-4-6-21)17-31-11-13-32(14-12-31)18-27-25-19-34-26-16-23(35-29(33)22-7-8-22)9-10-24(26)28(25)30-36-27/h2-6,9-10,15-16,22,25,27H,7-8,11-14,17-19H2,1H3/b20-15+/t25-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2C adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11625
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Agricultural Sciences and Veterinary Medicine
| Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... |
J Med Chem 46: 2187-96 (2003)
Article DOI: 10.1021/jm021123s BindingDB Entry DOI: 10.7270/Q2XK8CR9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11627
(β-CA inhibitor, 3 | 2-N-(4-amino-3-fluoro-5-i...)Show SMILES Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7FIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Agricultural Sciences and Veterinary Medicine
| Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... |
J Med Chem 46: 2187-96 (2003)
Article DOI: 10.1021/jm021123s BindingDB Entry DOI: 10.7270/Q2XK8CR9 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50131347
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29| Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to the human alpha-2A adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11625
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 20: 1403-10 (2012)
Article DOI: 10.1016/j.bmc.2012.01.007 BindingDB Entry DOI: 10.7270/Q2VH5P89 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50146512
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-but-2-enyl]-pip...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H32FN3O4/c1-18(19-4-6-20(28)7-5-19)8-9-30-10-12-31(13-11-30)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)29-35-26/h4-8,14-15,22,26H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50146513
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-3-yl-but-2...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccsc5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C25H31N3O4S/c1-17(18-5-11-33-16-18)4-6-27-7-9-28(10-8-27)14-24-20-15-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,11-13,16,20,24H,6-10,14-15H2,1-3H3/b17-4+/t20-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50146502
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC |c:28| Show InChI InChI=1S/C25H31N3O4S/c1-17(24-5-4-12-33-24)6-7-27-8-10-28(11-9-27)15-23-19-16-31-20-14-22(30-3)21(29-2)13-18(20)25(19)26-32-23/h4-6,12-14,19,23H,7-11,15-16H2,1-3H3/b17-6+/t19-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to the human alpha-2A adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50146501
((3R,3aS)-3-{4-[3-(2,5-Difluoro-phenyl)-2-methyl-al...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC |c:31| Show InChI InChI=1S/C27H31F2N3O4/c1-17(10-18-11-19(28)4-5-22(18)29)14-31-6-8-32(9-7-31)15-26-21-16-35-23-13-25(34-3)24(33-2)12-20(23)27(21)30-36-26/h4-5,10-13,21,26H,6-9,14-16H2,1-3H3/b17-10+/t21-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to the human alpha-2A adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10860
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Ki value against human carbonic anhydrase XII (hCA XII) |
Bioorg Med Chem Lett 15: 963-9 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50579637
(CHEMBL4878958)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| Article PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PI3K p110beta/p85alpha by HTRF assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50579634
(CHEMBL4860369)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PI3K p110beta/p85alpha by HTRF assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91 |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50163489
(Acetic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-a...)Show SMILES CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:8| Show InChI InChI=1S/C27H31N3O4/c1-19(14-21-6-4-3-5-7-21)16-29-10-12-30(13-11-29)17-26-24-18-32-25-15-22(33-20(2)31)8-9-23(25)27(24)28-34-26/h3-9,14-15,24,26H,10-13,16-18H2,1-2H3/b19-14+/t24-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for alpha-2A adrenergic receptor |
J Med Chem 48: 2054-71 (2005)
Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50146515
((3R,3aS)-7,8-Dimethoxy-3-{4-[3-(2-methoxy-phenyl)-...)Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31| Show InChI InChI=1S/C28H35N3O5/c1-19(13-20-7-5-6-8-23(20)32-2)16-30-9-11-31(12-10-30)17-27-22-18-35-24-15-26(34-4)25(33-3)14-21(24)28(22)29-36-27/h5-8,13-15,22,27H,9-12,16-18H2,1-4H3/b19-13+/t22-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor |
Bioorg Med Chem Lett 14: 2917-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM |
More data for this Ligand-Target Pair | |