Found 6681 hits with Last Name = 'thomas' and Initial = 'a' 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 |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573157
(CHEMBL4850297)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573166
(CHEMBL4869783)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573177
(CHEMBL4167702)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.0126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573167
(CHEMBL4858875)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573164
(CHEMBL4873390)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)nc1)C1=CCOCC1 |t:38| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573181
(CHEMBL4165185)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1)N1CCOCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573182
(CHEMBL4175571)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573180
(CHEMBL4175737)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1F)N1CCOCC1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573175
(CHEMBL4169192)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573176
(CHEMBL4173087)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1)N1CCOCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573179
(CHEMBL4174874)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCC(CC2)C(C)(C)O)cc1F)N1CCOCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573178
(CHEMBL4170075)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1F)N1CCOCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
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)) | BDBM50573170
(CHEMBL4855234)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM133600
(US8846719, 311)Show SMILES Cc1onc(c1COC(O)Cc1ccc(cn1)C(N)=O)-c1ccc(Cl)cn1 Show InChI InChI=1S/C18H17ClN4O4/c1-10-14(17(23-27-10)15-5-3-12(19)8-22-15)9-26-16(24)6-13-4-2-11(7-21-13)18(20)25/h2-5,7-8,16,24H,6,9H2,1H3,(H2,20,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| US Patent
| 0.100 | -53.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
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)) | BDBM50573159
(CHEMBL4867203)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCNCC2)cc1)C1=CCOCC1 |t:35| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102 BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]
(Homo sapiens (Human)) | BDBM15131
(5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.160 | -55.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat... |
Bioorg Med Chem Lett 16: 3740-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9 |
More data for this Ligand-Target Pair | |
Integrin alpha-5
(Homo sapiens (Human)) | BDBM10484
(US11091471, Example RO-301 | US8846719, 301)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C21H21ClN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,25,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2W66PWZ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM133597
(US8846719, 308)Show SMILES Cc1onc(c1COC(c1ccc(cn1)C(N)=O)C(F)(F)F)-c1ccc(Cl)cn1 Show InChI InChI=1S/C18H14ClF3N4O3/c1-9-12(15(26-29-9)13-5-3-11(19)7-25-13)8-28-16(18(20,21)22)14-4-2-10(6-24-14)17(23)27/h2-7,16H,8H2,1H3,(H2,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.200 | -51.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM17659
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Concentration of the compound required for the neuroprotective effect determined by inhibition of GCP II |
Bioorg Med Chem Lett 13: 2097-100 (2003)
BindingDB Entry DOI: 10.7270/Q2Z60NF2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311061
(3-(3-fluoro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazo...)Show InChI InChI=1S/C15H10FN7O/c1-8-20-14(21-24-8)13-12-5-23-15(17-6-19-23)10-4-9(16)2-3-11(10)22(12)7-18-13/h2-4,6-7H,5H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378486
(CHEMBL566181)Show InChI InChI=1S/C15H14N4O/c1-2-20-15-14-9-19-13(7-8-17-19)11-5-3-4-6-12(11)18(14)10-16-15/h3-8,10H,2,9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia 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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153 BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311052
(CHEMBL1079870 | ethyl 3-fluoro-9H-benzo[f]imidazo[...)Show InChI InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia 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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]Flumazenil from human GABAalpha5beta3gamma2 receptor expressed in insect SF9 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378525
(CHEMBL571466)Show InChI InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)11-6-10(23-2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia 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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153 BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378529
(CHEMBL566189)Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)10-5-3-4-6-11(10)19(12)9-17-13/h3-6,8-9H,2,7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia 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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153 BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378517
(CHEMBL567243)Show InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia 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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153 BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10521
(US8846719, 303)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CC1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C19H17ClN4O3/c1-11-15(18(24-27-11)16-6-3-13(20)9-21-16)10-26-17-7-2-12(8-22-17)19(25)23-14-4-5-14/h2-3,6-9,14H,4-5,10H2,1H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.300 | -50.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10517
(US8846719, 302)Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cn2)nc1 Show InChI InChI=1S/C19H19ClN4O3/c1-11(2)23-19(25)13-4-7-17(22-8-13)26-10-15-12(3)27-24-18(15)16-6-5-14(20)9-21-16/h4-9,11H,10H2,1-3H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.300 | -50.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10484
(US11091471, Example RO-301 | US8846719, 301)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C21H21ClN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.300 | -50.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311048
(10-chloro-3-fluoro-9H-benzo[f]imidazo[1,5-a][1,2,4...)Show InChI InChI=1S/C12H7ClFN5/c13-11-10-4-19-12(15-5-17-19)8-3-7(14)1-2-9(8)18(10)6-16-11/h1-3,5-6H,4H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia 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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]Flumazenil from human GABAalpha5beta3gamma2 receptor expressed in insect SF9 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311049
(10-chloro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo...)Show InChI InChI=1S/C12H8ClN5/c13-11-10-5-18-12(14-6-16-18)8-3-1-2-4-9(8)17(10)7-15-11/h1-4,6-7H,5H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia 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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10467
(US8846719, 294)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NCC(F)(F)F)-c1ccc(F)cn1 Show InChI InChI=1S/C18H14F4N4O3/c1-10-13(16(26-29-10)14-4-3-12(19)7-23-14)8-28-15-5-2-11(6-24-15)17(27)25-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.300 | -50.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM133596
(US8846719, 306)Show SMILES Cc1onc(c1COC(C1CC1)c1ccc(cn1)C(N)=O)-c1ccc(Cl)cn1 Show InChI InChI=1S/C20H19ClN4O3/c1-11-15(18(25-28-11)16-7-5-14(21)9-24-16)10-27-19(12-2-3-12)17-6-4-13(8-23-17)20(22)26/h4-9,12,19H,2-3,10H2,1H3,(H2,22,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.300 | -50.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10673
(US8846719, 289)Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2C2CCC(F)CN2)nc1 Show InChI InChI=1S/C19H25FN4O3/c1-11(2)23-19(25)13-4-7-17(22-8-13)26-10-15-12(3)27-24-18(15)16-6-5-14(20)9-21-16/h4,7-8,11,14,16,21H,5-6,9-10H2,1-3H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.300 | -50.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378518
(CHEMBL565560)Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia 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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153 BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50003879
(CHEMBL1277130)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C22H22N6O5/c1-11(29)13-7-4-12(5-8-13)6-9-14-26-19(23-2)15-20(27-14)28(10-25-15)22-17(31)16(30)18(33-22)21(32)24-3/h4-5,7-8,10,16-18,22,30-31H,1-3H3,(H,24,32)(H,23,26,27)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299697
(2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM513240
(6-((5-methyl-3-(6-methylpyridazin-3-yl)isoxazol-4-...)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)nn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2W66PWZ |
More data for this Ligand-Target Pair | |
Integrin alpha-5
(Homo sapiens (Human)) | BDBM513334
(US11091471, Example RE-B)Show SMILES Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2W66PWZ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10711
(US8846719, 292)Show SMILES Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NCC1CC1 Show InChI InChI=1S/C20H25FN4O3/c1-12-16(19(25-28-12)17-6-5-15(21)10-22-17)11-27-18-7-4-14(9-23-18)20(26)24-8-13-2-3-13/h4,7,9,13,15,17,22H,2-3,5-6,8,10-11H2,1H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.400 | -49.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10672
(US8846719, 288)Show SMILES Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C21H27FN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2,5,10,15-16,18,23H,3-4,6-9,11-12H2,1H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.400 | -49.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10468
(US8846719, 295)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NCCO)-c1ccc(F)cn1 Show InChI InChI=1S/C18H17FN4O4/c1-11-14(17(23-27-11)15-4-3-13(19)9-21-15)10-26-16-5-2-12(8-22-16)18(25)20-6-7-24/h2-5,8-9,24H,6-7,10H2,1H3,(H,20,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| US Patent
| 0.400 | -49.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM133578
(US8846719, 270)Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2F)nc1 Show InChI InChI=1S/C20H19ClFN3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-6-5-14(21)8-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.400 | -49.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM133599
(US8846719, 310)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCSCC1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C20H19ClN4O3S/c1-13-16(19(24-28-13)17-4-3-15(21)11-22-17)12-27-18-5-2-14(10-23-18)20(26)25-6-8-29-9-7-25/h2-5,10-11H,6-9,12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.400 | -49.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299703
(2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299701
(CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10667
(US8846719, 284)Show InChI InChI=1S/C18H24N4O4/c1-12-14(17(22-26-12)15-4-2-3-7-19-15)11-25-16-6-5-13(10-21-16)18(24)20-8-9-23/h5-6,10,15,19,23H,2-4,7-9,11H2,1H3,(H,20,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| US Patent
| 0.5 | -49.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378469
(CHEMBL576426)Show InChI InChI=1S/C14H13N5/c1-2-11-13-7-19-14(15-8-17-19)10-5-3-4-6-12(10)18(13)9-16-11/h3-6,8-9H,2,7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153 BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM133594
(US8846719, 299)Show SMILES C[C@H](NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1)C(F)(F)F Show InChI InChI=1S/C19H16F4N4O3/c1-10-14(17(27-30-10)15-5-4-13(20)8-24-15)9-29-16-6-3-12(7-25-16)18(28)26-11(2)19(21,22)23/h3-8,11H,9H2,1-2H3,(H,26,28)/t11-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.5 | -49.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM10483
(US8846719, 297)Show InChI InChI=1S/C18H17FN4O3/c1-3-20-18(24)12-4-7-16(22-8-12)25-10-14-11(2)26-23-17(14)15-6-5-13(19)9-21-15/h4-9H,3,10H2,1-2H3,(H,20,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.5 | -49.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM133568
(US8846719, 260)Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N[C@H]1CCC[C@@H]1O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClN3O4/c1-13-17(21(26-30-13)14-5-8-16(23)9-6-14)12-29-20-10-7-15(11-24-20)22(28)25-18-3-2-4-19(18)27/h5-11,18-19,27H,2-4,12H2,1H3,(H,25,28)/t18-,19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.5 | -49.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Roche Palo Alto LLC
US Patent
| Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con... |
US Patent US8846719 (2014)
BindingDB Entry DOI: 10.7270/Q2V986RV |
More data for this Ligand-Target Pair | |