Found 179 hits with Last Name = 'yue' and Initial = 'ws' 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 |
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 | |
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 | |
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 | |
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(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 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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372652
(CHEMBL410029)Show SMILES COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C26H20N2O4/c1-32-22-12-7-18(8-13-22)3-2-4-19-9-14-24-23(15-19)25(29)28(17-27-24)16-20-5-10-21(11-6-20)26(30)31/h5-15,17H,3,16H2,1H3,(H,30,31) | 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 | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372652
(CHEMBL410029)Show SMILES COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C26H20N2O4/c1-32-22-12-7-18(8-13-22)3-2-4-19-9-14-24-23(15-19)25(29)28(17-27-24)16-20-5-10-21(11-6-20)26(30)31/h5-15,17H,3,16H2,1H3,(H,30,31) | 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 | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220383
(4'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)Show InChI InChI=1S/C15H10F3NO/c1-20-13-6-4-10(5-7-13)11-2-3-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3 | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220643
(6-((cyclopropylmethyl)(propyl)amino)-4-(trifluorom...)Show InChI InChI=1S/C14H16F3N3/c1-2-5-20(9-10-3-4-10)13-6-12(14(15,16)17)11(7-18)8-19-13/h6,8,10H,2-5,9H2,1H3 | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5693-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372636
(CHEMBL429584)Show SMILES O=c1n(Cc2ccc(cc2)-c2nnn[nH]2)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H18N6O/c32-25-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-31(25)16-20-9-12-21(13-10-20)24-27-29-30-28-24/h1-3,5-6,9-15,17H,7,16H2,(H,27,28,29,30) | 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 | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220379
(3,2'-bis-trifluoromethyl-biphenyl-4-carbonitrile |...)Show InChI InChI=1S/C15H7F6N/c16-14(17,18)12-4-2-1-3-11(12)9-5-6-10(8-22)13(7-9)15(19,20)21/h1-7H | 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 | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372657
(CHEMBL273054)Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30) | 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 | 1.54 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372633
(CHEMBL270502)Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32) | 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 | 1.61 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372647
(CHEMBL272007)Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32) | 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 | 2.69 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372632
(CHEMBL273113)Show SMILES COc1cc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)ccn1 Show InChI InChI=1S/C23H19N5O5/c1-33-20-8-15(6-7-24-20)10-26-21(29)18-9-17-19(11-25-18)27-13-28(22(17)30)12-14-2-4-16(5-3-14)23(31)32/h2-9,11,13H,10,12H2,1H3,(H,26,29)(H,31,32) | 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 | 3.46 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220635
(6-(butyl(methyl)amino)-4-(trifluoromethyl)nicotino...)Show InChI InChI=1S/C12H14F3N3/c1-3-4-5-18(2)11-6-10(12(13,14)15)9(7-16)8-17-11/h6,8H,3-5H2,1-2H3 | 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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5693-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372639
(CHEMBL271997)Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32) | 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 | 4.24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
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 | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372635
(CHEMBL272245)Show SMILES Oc1c(F)cc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1F Show InChI InChI=1S/C24H16F2N2O2/c25-20-12-18(13-21(26)23(20)29)14-28-15-27-22-10-9-17(11-19(22)24(28)30)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,29H,7,14H2 | 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 | 6.12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372636
(CHEMBL429584)Show SMILES O=c1n(Cc2ccc(cc2)-c2nnn[nH]2)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H18N6O/c32-25-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-31(25)16-20-9-12-21(13-10-20)24-27-29-30-28-24/h1-3,5-6,9-15,17H,7,16H2,(H,27,28,29,30) | 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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50234348
(4-((6-(4-methoxybenzylcarbamoyl)-4-oxopyrido[3,4-d...)Show SMILES COc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32) | 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 | 6.72 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220642
(6-(sec-butyl(methyl)amino)-4-(trifluoromethyl)nico...)Show InChI InChI=1S/C12H14F3N3/c1-4-8(2)18(3)11-5-10(12(13,14)15)9(6-16)7-17-11/h5,7-8H,4H2,1-3H3 | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5693-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372649
(CHEMBL408646)Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCn2ccnc2)cc1 Show InChI InChI=1S/C22H16N4O3/c27-21-19-12-16(2-1-10-25-11-9-23-14-25)5-8-20(19)24-15-26(21)13-17-3-6-18(7-4-17)22(28)29/h3-9,11-12,14-15H,10,13H2,(H,28,29) | 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 | 7.82 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
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 | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372657
(CHEMBL273054)Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30) | 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 | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220389
(2'-chloro-3-trifluoromethyl-biphenyl-4-carbonitril...)Show InChI InChI=1S/C14H7ClF3N/c15-13-4-2-1-3-11(13)9-5-6-10(8-19)12(7-9)14(16,17)18/h1-7H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372641
(CHEMBL409111)Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32) | 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 | 9.95 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
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)) | BDBM50220379
(3,2'-bis-trifluoromethyl-biphenyl-4-carbonitrile |...)Show InChI InChI=1S/C15H7F6N/c16-14(17,18)12-4-2-1-3-11(12)9-5-6-10(8-22)13(7-9)15(19,20)21/h1-7H | 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 | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372640
(CHEMBL429596)Show SMILES CSc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O4S/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372633
(CHEMBL270502)Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220385
(4'-hydroxy-3-trifluoromethyl-biphenyl-4-carbonitri...)Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)13-7-10(1-2-11(13)8-18)9-3-5-12(19)6-4-9/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 | 11.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gen... |
Bioorg Med Chem Lett 17: 5983-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50221436
(4-(2-cyano-cyclohexyl-oxy)-2-trifluoromethyl-benzo...)Show SMILES FC(F)(F)c1cc(OC2CCCCC2C#N)ccc1C#N |w:13.14,8.7| 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 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gen... |
Bioorg Med Chem Lett 17: 5983-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372629
(CHEMBL272246)Show SMILES NC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H19N3O2/c26-24(29)21-12-9-20(10-13-21)16-28-17-27-23-14-11-19(15-22(23)25(28)30)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,26,29) | 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 | 13.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372643
(CHEMBL429247)Show SMILES COc1cccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)c1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-4-2-3-16(9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-15-5-7-17(8-6-15)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32) | 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 | 13.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50372656
(CHEMBL271148)Show SMILES NS(=O)(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C24H19N3O3S/c25-31(29,30)21-12-9-20(10-13-21)16-27-17-26-23-14-11-19(15-22(23)24(27)28)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,25,29,30) | 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 | 13.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 catalytic domain |
J Med Chem 51: 835-41 (2008)
Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220384
(2',6'-dimethoxy-3-trifluoromethyl-biphenyl-4-carbo...)Show InChI InChI=1S/C16H12F3NO2/c1-21-13-4-3-5-14(22-2)15(13)10-6-7-11(9-20)12(8-10)16(17,18)19/h3-8H,1-2H3 | 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 | 14.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |