Found 79 hits with Last Name = 'harter' and Initial = 'wg' 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 |
Caspase-1
(Homo sapiens (Human)) | BDBM50139702
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H38N4O9S/c1-19(2)26(33-29(39)42-18-22-12-8-5-9-13-22)28(38)31-20(3)27(37)32-23(16-25(35)36)24(34)17-30-43(40,41)15-14-21-10-6-4-7-11-21/h4-13,19-20,23,26,30H,14-18H2,1-3H3,(H,31,38)(H,32,37)(H,33,39)(H,35,36)/t20-,23?,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139695
(3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-...)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C32H41N5O12S/c1-19(30(45)37-25(17-29(43)44)27(40)18-33-50(48,49)15-14-21-6-4-3-5-7-21)34-31(46)24(12-13-28(41)42)36-32(47)26(35-20(2)38)16-22-8-10-23(39)11-9-22/h3-11,19,24-26,33,39H,12-18H2,1-2H3,(H,34,46)(H,35,38)(H,36,47)(H,37,45)(H,41,42)(H,43,44)/t19-,24-,25?,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50091585
(3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27?,28-,31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT7 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139699
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-carboxy-b...)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H36N4O11S/c1-19(31-28(40)22(12-13-25(35)36)33-29(41)44-18-21-10-6-3-7-11-21)27(39)32-23(16-26(37)38)24(34)17-30-45(42,43)15-14-20-8-4-2-5-9-20/h2-11,19,22-23,30H,12-18H2,1H3,(H,31,40)(H,32,39)(H,33,41)(H,35,36)(H,37,38)/t19-,22-,23?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic Alpha-1A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT1A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139690
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C31H41N3O7/c1-21(2)28(34-31(40)41-20-24-16-10-5-11-17-24)30(39)32-22(3)29(38)33-25(19-27(36)37)26(35)18-12-6-9-15-23-13-7-4-8-14-23/h4-5,7-8,10-11,13-14,16-17,21-22,25,28H,6,9,12,15,18-20H2,1-3H3,(H,32,39)(H,33,38)(H,34,40)(H,36,37)/t22-,25?,28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to beta2 adrenergic receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D4 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT1A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D4 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic alpha-1b receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D2 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to beta-1 adrenergic receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139698
(3-Benzyloxycarbonylamino-4-oxo-5-(2-phenyl-ethanes...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C21H24N2O7S/c24-19(14-22-31(28,29)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-21(27)30-15-17-9-5-2-6-10-17/h1-10,18,22H,11-15H2,(H,23,27)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139701
(3-Benzyloxycarbonylamino-5-(2-naphthalen-1-yl-etha...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1cccc2ccccc12 Show InChI InChI=1S/C25H26N2O7S/c28-23(22(15-24(29)30)27-25(31)34-17-18-7-2-1-3-8-18)16-26-35(32,33)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12,22,26H,13-17H2,(H,27,31)(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139694
(3-Benzyloxycarbonylamino-5-(naphthalene-1-sulfonyl...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H22N2O7S/c26-20(14-24-33(30,31)21-12-6-10-17-9-4-5-11-18(17)21)19(13-22(27)28)25-23(29)32-15-16-7-2-1-3-8-16/h1-12,19,24H,13-15H2,(H,25,29)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139697
(3-Benzyloxycarbonylamino-5-(2-cyclohexyl-ethanesul...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCC1CCCCC1 Show InChI InChI=1S/C21H30N2O7S/c24-19(14-22-31(28,29)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-21(27)30-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18,22H,1,3-4,7-8,11-15H2,(H,23,27)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139693
(3-Benzyloxycarbonylamino-4-oxo-5-(3-phenyl-propane...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCCc1ccccc1 Show InChI InChI=1S/C22H26N2O7S/c25-20(15-23-32(29,30)13-7-12-17-8-3-1-4-9-17)19(14-21(26)27)24-22(28)31-16-18-10-5-2-6-11-18/h1-6,8-11,19,23H,7,12-16H2,(H,24,28)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139691
(5-Benzenesulfonylamino-3-benzyloxycarbonylamino-4-...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H20N2O7S/c22-17(12-20-29(26,27)15-9-5-2-6-10-15)16(11-18(23)24)21-19(25)28-13-14-7-3-1-4-8-14/h1-10,16,20H,11-13H2,(H,21,25)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139703
(3-Benzyloxycarbonylamino-5-(indan-1-ylmethanesulfo...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CC1CCc2ccccc12 Show InChI InChI=1S/C23H26N2O7S/c26-21(13-24-33(30,31)15-18-11-10-17-8-4-5-9-19(17)18)20(12-22(27)28)25-23(29)32-14-16-6-2-1-3-7-16/h1-9,18,20,24H,10-15H2,(H,25,29)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139696
(3-Benzyloxycarbonylamino-4-oxo-9-phenyl-nonanoic a...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C23H27NO5/c25-21(15-9-3-6-12-18-10-4-1-5-11-18)20(16-22(26)27)24-23(28)29-17-19-13-7-2-8-14-19/h1-2,4-5,7-8,10-11,13-14,20H,3,6,9,12,15-17H2,(H,24,28)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139692
(3-Benzyloxycarbonylamino-5-methanesulfonylamino-4-...)Show SMILES CS(=O)(=O)NCC(=O)C(CC(O)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C14H18N2O7S/c1-24(21,22)15-8-12(17)11(7-13(18)19)16-14(20)23-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,16,20)(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 7.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139695
(3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-...)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C32H41N5O12S/c1-19(30(45)37-25(17-29(43)44)27(40)18-33-50(48,49)15-14-21-6-4-3-5-7-21)34-31(46)24(12-13-28(41)42)36-32(47)26(35-20(2)38)16-22-8-10-23(39)11-9-22/h3-11,19,24-26,33,39H,12-18H2,1-2H3,(H,34,46)(H,35,38)(H,36,47)(H,37,45)(H,41,42)(H,43,44)/t19-,24-,25?,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50249488
(4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl...)Show SMILES Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7| Show InChI InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323411
(1-((1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)me...)Show SMILES COc1cccc(c1)N1CCN(Cc2cnn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H25FN4O/c1-17-18(15-24-27(17)20-8-6-19(23)7-9-20)16-25-10-12-26(13-11-25)21-4-3-5-22(14-21)28-2/h3-9,14-15H,10-13,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323406
(1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)met...)Show SMILES Cc1nn(c(Cl)c1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C21H22ClFN4/c1-16-20(21(22)27(24-16)19-5-3-2-4-6-19)15-25-11-13-26(14-12-25)18-9-7-17(23)8-10-18/h2-10H,11-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM25428
(4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...)Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Pfizer
| Assay Description The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c... |
J Med Chem 51: 7010-4 (2008)
Article DOI: 10.1021/jm8009316 BindingDB Entry DOI: 10.7270/Q2Z31WZ1 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM25432
(6-{methyl[(1R)-1-phenylethyl]amino}-4-(trifluorome...)Show SMILES C[C@@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C16H14F3N3/c1-11(12-6-4-3-5-7-12)22(2)15-8-14(16(17,18)19)13(9-20)10-21-15/h3-8,10-11H,1-2H3/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Pfizer
| Assay Description The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c... |
J Med Chem 51: 7010-4 (2008)
Article DOI: 10.1021/jm8009316 BindingDB Entry DOI: 10.7270/Q2Z31WZ1 |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323405
(1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-y...)Show SMILES COc1cccc(c1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)20-9-7-19(24)8-10-20)16-26-11-13-27(14-12-26)21-5-4-6-22(15-21)29-3/h4-10,15H,11-14,16H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139699
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-carboxy-b...)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H36N4O11S/c1-19(31-28(40)22(12-13-25(35)36)33-29(41)44-18-21-10-6-3-7-11-21)27(39)32-23(16-26(37)38)24(34)17-30-45(42,43)15-14-20-8-4-2-5-9-20/h2-11,19,22-23,30H,12-18H2,1H3,(H,31,40)(H,32,39)(H,33,41)(H,35,36)(H,37,38)/t19-,22-,23?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50249488
(4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl...)Show SMILES Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7| Show InChI InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM25434
(4-(2-hydroxycyclohexyl)-2-(trifluoromethyl)benzoni...)Show InChI InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Pfizer
| Assay Description The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c... |
J Med Chem 51: 7010-4 (2008)
Article DOI: 10.1021/jm8009316 BindingDB Entry DOI: 10.7270/Q2Z31WZ1 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM25431
(4-(2-hydroxyphenyl)-2-methoxybenzonitrile | diaryl...)Show InChI InChI=1S/C14H11NO2/c1-17-14-8-10(6-7-11(14)9-15)12-4-2-3-5-13(12)16/h2-8,16H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Pfizer
| Assay Description The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c... |
J Med Chem 51: 7010-4 (2008)
Article DOI: 10.1021/jm8009316 BindingDB Entry DOI: 10.7270/Q2Z31WZ1 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM25436
(4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl...)Show SMILES O[C@@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Pfizer
| Assay Description The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c... |
J Med Chem 51: 7010-4 (2008)
Article DOI: 10.1021/jm8009316 BindingDB Entry DOI: 10.7270/Q2Z31WZ1 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM25430
(4-(2-hydroxyphenyl)-2-(trifluoromethyl)benzonitril...)Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h1-7,19H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39.9 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Pfizer
| Assay Description The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c... |
J Med Chem 51: 7010-4 (2008)
Article DOI: 10.1021/jm8009316 BindingDB Entry DOI: 10.7270/Q2Z31WZ1 |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM25437
((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...)Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 7.4 | 4 |
Pfizer
| Assay Description The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c... |
J Med Chem 51: 7010-4 (2008)
Article DOI: 10.1021/jm8009316 BindingDB Entry DOI: 10.7270/Q2Z31WZ1 |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323411
(1-((1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)me...)Show SMILES COc1cccc(c1)N1CCN(Cc2cnn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H25FN4O/c1-17-18(15-24-27(17)20-8-6-19(23)7-9-20)16-25-10-12-26(13-11-25)21-4-3-5-22(14-21)28-2/h3-9,14-15H,10-13,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50091585
(3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27?,28-,31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139702
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H38N4O9S/c1-19(2)26(33-29(39)42-18-22-12-8-5-9-13-22)28(38)31-20(3)27(37)32-23(16-25(35)36)24(34)17-30-43(40,41)15-14-21-10-6-4-7-11-21/h4-13,19-20,23,26,30H,14-18H2,1-3H3,(H,31,38)(H,32,37)(H,33,39)(H,35,36)/t20-,23?,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50184796
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)Show InChI InChI=1S/C21H24N4/c1-18-19(16-22-25(18)21-10-6-3-7-11-21)17-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,16H,12-15,17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50184796
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)Show InChI InChI=1S/C21H24N4/c1-18-19(16-22-25(18)21-10-6-3-7-11-21)17-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,16H,12-15,17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this Ligand-Target Pair | |