BDBM50298220 2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl)-6-methylpyridine::2-(5-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-4-yl)-6-methylpyridine::CHEMBL1824446::CHEMBL226838::SB-505124
SMILES: Cc1cccc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(C)(C)C
InChI Key: InChIKey=WGZOTBUYUFBEPZ-UHFFFAOYSA-N
Data: 22 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of recombinant human p38-alpha expressed in Escherichia coli using ATF2 as substrate by radioisotope-based assay | Bioorg Med Chem 22: 2724-32 (2014) Article DOI: 10.1016/j.bmc.2014.03.022 BindingDB Entry DOI: 10.7270/Q2CC1275 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University Curated by ChEMBL | Assay Description Inhibition of GST-tagged ALK5 kinase domain (unknown origin) using GST-tagged SMAD3 as substrate in presence of [33P] gammaATP by liquid scintillatio... | Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 685 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of RIPK2 (unknown origin) by radioisotopic assay | J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of VEGFR2 (unknown origin) by radioisotopic assay | J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of ALK5 in human HaCaT cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay | J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK5 (Mus musculus) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of ALK5 in mouse 4T1 cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay | J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-1B (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of ALK4 (unknown origin) by radioisotopic assay | J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay | J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radioisotopic assay | J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 insect cells using casein as substrate by proprietary radioisotopic protein kinase as... | Bioorg Med Chem Lett 25: 5228-31 (2015) BindingDB Entry DOI: 10.7270/Q2BP04MB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 668 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by proprietary radioisotopic protein kinase assay | Bioorg Med Chem Lett 25: 5228-31 (2015) BindingDB Entry DOI: 10.7270/Q2BP04MB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmacology and Toxicology Curated by ChEMBL | Assay Description Inhibition of ALK5 assessed as inhibition of immobilized Smad3 phosphorylation | Bioorg Med Chem Lett 19: 4868-72 (2009) Article DOI: 10.1016/j.bmcl.2009.04.066 BindingDB Entry DOI: 10.7270/Q21R6QK3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells | Bioorg Med Chem 18: 4459-67 (2010) Article DOI: 10.1016/j.bmc.2010.04.071 BindingDB Entry DOI: 10.7270/Q2RV0NWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells | Bioorg Med Chem 19: 2633-40 (2011) Article DOI: 10.1016/j.bmc.2011.03.008 BindingDB Entry DOI: 10.7270/Q2639Q2H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 594 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay | Bioorg Med Chem 19: 2633-40 (2011) Article DOI: 10.1016/j.bmc.2011.03.008 BindingDB Entry DOI: 10.7270/Q2639Q2H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-fused ALK5 expressed in insect Sf9 cells using casein as substrate by radiometric kinase assay | Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 594 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay | Eur J Med Chem 46: 3917-25 (2011) Article DOI: 10.1016/j.ejmech.2011.05.063 BindingDB Entry DOI: 10.7270/Q2GT5NKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 594 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay | Eur J Med Chem 57: 74-84 (2012) Article DOI: 10.1016/j.ejmech.2012.09.011 BindingDB Entry DOI: 10.7270/Q24Q7W2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 594 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay | Bioorg Med Chem Lett 21: 6049-53 (2011) Article DOI: 10.1016/j.bmcl.2011.08.064 BindingDB Entry DOI: 10.7270/Q2PG1SQZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 54.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay | Bioorg Med Chem Lett 21: 6049-53 (2011) Article DOI: 10.1016/j.bmcl.2011.08.064 BindingDB Entry DOI: 10.7270/Q2PG1SQZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 54.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay | Eur J Med Chem 57: 74-84 (2012) Article DOI: 10.1016/j.ejmech.2012.09.011 BindingDB Entry DOI: 10.7270/Q24Q7W2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50298220 (2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of GST-fused recombinant human ALK5 expressed in baculovirus-infected insect Sf9 cells using casein as substrate by radioisotope-based ass... | Bioorg Med Chem 22: 2724-32 (2014) Article DOI: 10.1016/j.bmc.2014.03.022 BindingDB Entry DOI: 10.7270/Q2CC1275 | |||||||||||
More data for this Ligand-Target Pair |