Found 17 hits of Enzyme Inhibition Constant Data 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 |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50327234
(2-[2-(4'-Butoxy1phenyl)-5,7-dimethylpyrazolo[1,5-a...)Show SMILES CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C24H32N4O2/c1-6-9-14-30-20-12-10-19(11-13-20)23-21(16-22(29)27(7-2)8-3)24-25-17(4)15-18(5)28(24)26-23/h10-13,15H,6-9,14,16H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50327236
(2-[5,7-Dimethyl-2-(4'-propoxyphenyl)pyrazolo[1,5-a...)Show SMILES CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h9-12,14H,6-8,13,15H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
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 |
University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50327238
(2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...)Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50327235
(2-[5,7-Dimethyl-2-(4-(prop-2-yn-1-yloxy)phenyl)pyr...)Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H26N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h1,9-12,14H,7-8,13,15H2,2-5H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50327237
(2-[2-(4'-Ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]...)Show SMILES CCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C22H28N4O2/c1-6-25(7-2)20(27)14-19-21(17-9-11-18(12-10-17)28-8-3)24-26-16(5)13-15(4)23-22(19)26/h9-13H,6-8,14H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50243007
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50327234
(2-[2-(4'-Butoxy1phenyl)-5,7-dimethylpyrazolo[1,5-a...)Show SMILES CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C24H32N4O2/c1-6-9-14-30-20-12-10-19(11-13-20)23-21(16-22(29)27(7-2)8-3)24-25-17(4)15-18(5)28(24)26-23/h10-13,15H,6-9,14,16H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of 5-HT1B receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50327234
(2-[2-(4'-Butoxy1phenyl)-5,7-dimethylpyrazolo[1,5-a...)Show SMILES CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C24H32N4O2/c1-6-9-14-30-20-12-10-19(11-13-20)23-21(16-22(29)27(7-2)8-3)24-25-17(4)15-18(5)28(24)26-23/h10-13,15H,6-9,14,16H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of 5-HT2B receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50327237
(2-[2-(4'-Ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]...)Show SMILES CCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C22H28N4O2/c1-6-25(7-2)20(27)14-19-21(17-9-11-18(12-10-17)28-8-3)24-26-16(5)13-15(4)23-22(19)26/h9-13H,6-8,14H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of 5-HT1B receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50327236
(2-[5,7-Dimethyl-2-(4'-propoxyphenyl)pyrazolo[1,5-a...)Show SMILES CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h9-12,14H,6-8,13,15H2,1-5H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of Alpha-1B adrenergic receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50327234
(2-[2-(4'-Butoxy1phenyl)-5,7-dimethylpyrazolo[1,5-a...)Show SMILES CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C24H32N4O2/c1-6-9-14-30-20-12-10-19(11-13-20)23-21(16-22(29)27(7-2)8-3)24-25-17(4)15-18(5)28(24)26-23/h10-13,15H,6-9,14,16H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of kappa opioid receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50327235
(2-[5,7-Dimethyl-2-(4-(prop-2-yn-1-yloxy)phenyl)pyr...)Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H26N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h1,9-12,14H,7-8,13,15H2,2-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of 5-HT1B receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50327236
(2-[5,7-Dimethyl-2-(4'-propoxyphenyl)pyrazolo[1,5-a...)Show SMILES CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h9-12,14H,6-8,13,15H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of kappa opioid receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50327234
(2-[2-(4'-Butoxy1phenyl)-5,7-dimethylpyrazolo[1,5-a...)Show SMILES CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C24H32N4O2/c1-6-9-14-30-20-12-10-19(11-13-20)23-21(16-22(29)27(7-2)8-3)24-25-17(4)15-18(5)28(24)26-23/h10-13,15H,6-9,14,16H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of delta opioid receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50327236
(2-[5,7-Dimethyl-2-(4'-propoxyphenyl)pyrazolo[1,5-a...)Show SMILES CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h9-12,14H,6-8,13,15H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of 5-HT1B receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50327236
(2-[5,7-Dimethyl-2-(4'-propoxyphenyl)pyrazolo[1,5-a...)Show SMILES CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h9-12,14H,6-8,13,15H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of delta opioid receptor |
Bioorg Med Chem Lett 20: 5799-802 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P |
More data for this Ligand-Target Pair | |