BDBM185149 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine::Crenolanib
SMILES: CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
InChI Key: InChIKey=DYNHJHQFHQTFTP-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 |
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Ferrochelatase R115L (FECH) (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a |
Technical University of Munich | Assay Description Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30... | ACS Chem Biol 11: 1245-54 (2016) Article DOI: 10.1021/acschembio.5b01063 BindingDB Entry DOI: 10.7270/Q2FB51R8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IRE1α (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 790 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Washington | Assay Description Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p... | ACS Chem Biol 11: 2195-205 (2016) Article DOI: 10.1021/acschembio.5b00940 BindingDB Entry DOI: 10.7270/Q2ZK5FGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP | ACS Med Chem Lett 7: 476-81 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XJD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP | ACS Med Chem Lett 7: 476-81 (2016) BindingDB Entry DOI: 10.7270/Q2HD7XJD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL | Assay Description Inhibition of FLT3 ITD/D835H double mutant (unknown origin) | Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt Curated by ChEMBL | Assay Description Binding affinity to human FLT3 ITD/F691L double mutant expressed in baculovirus expression system | J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL | Assay Description Inhibition of FLT3 D835H mutant (unknown origin) | Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL | Assay Description Inhibition of FLT3 D835Y mutant (unknown origin) | Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt Curated by ChEMBL | Assay Description Binding affinity to non-auto-inhibited form of wild type human N-terminal GST-tagged FLT3 expressed in baculovirus expression | J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt Curated by ChEMBL | Assay Description Binding affinity to human FLT3 D835H mutant expressed in baculovirus expression system | J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt Curated by ChEMBL | Assay Description Binding affinity to human FLT3 ITD mutant expressed in baculovirus expression system | J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL | Assay Description Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) | Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 | |||||||||||
More data for this Ligand-Target Pair |