BDBM102620 BMX-IN-1::N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,::US10000483, Compound I-14
SMILES: Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
InChI Key: InChIKey=SFMJNHNUOVADRW-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Science and Technology of China Curated by ChEMBL | Assay Description Irreversible inhibition of recombinant full length His-tagged human BTK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as subst... | Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Science and Technology of China Curated by ChEMBL | Assay Description Inhibition of recombinant full length His-tagged human BTK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub... | Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 10.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences | ACS Chem Biol 8: 1423-8 (2013) Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK3 (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences | ACS Chem Biol 8: 1423-8 (2013) Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EGF-R Tyrosine Kinase Mutant (T790M) (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences | ACS Chem Biol 8: 1423-8 (2013) Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences | ACS Chem Biol 8: 1423-8 (2013) Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase TEC (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 653 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences | ACS Chem Biol 8: 1423-8 (2013) Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
High Magnetic Field Laboratory Curated by ChEMBL | Assay Description Inhibition of full-length recombinant human His-tagged BTK expressed in baculovirus expression system by Z'-LYTE assay | J Med Chem 60: 1793-1816 (2017) Article DOI: 10.1021/acs.jmedchem.6b01413 BindingDB Entry DOI: 10.7270/Q2GH9M74 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 7.99 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d... | J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech... | J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech... | J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 325 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech... | J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Blk (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech... | J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase TEC (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 653 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech... | J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor subfamily 2 group C member 2 (TAK1) (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | >3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech... | J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech... | J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Science and Technology of China Curated by ChEMBL | Assay Description Inhibition of recombinant full length His-tagged human BMX expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub... | Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Blk (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Science and Technology of China Curated by ChEMBL | Assay Description Inhibition of recombinant full length His-tagged human BLK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub... | Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Science and Technology of China Curated by ChEMBL | Assay Description Inhibition of recombinant GST-tagged human JAK3 expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 1 ... | Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Blk (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences | ACS Chem Biol 8: 1423-8 (2013) Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human)) | BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences | ACS Chem Biol 8: 1423-8 (2013) Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG | ||||||||||||
More data for this Ligand-Target Pair |