BDBM163700 N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)carbamoyl)-2-methylphenyl)-5-(1-methyl-1H-pyrazol-4-yl)nicotinamide (5)::US10597387, Compound (I-9)
SMILES: CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnn(C)c4)c3)cc2C(F)(F)F)CC1
InChI Key: InChIKey=GZOONDJISKPFEJ-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Discoidin domain-containing receptor 2 (Homo sapiens (Human)) | BDBM163700 (N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(triflu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute | Assay Description The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies. | ACS Chem Biol 10: 2687-96 (2015) Article DOI: 10.1021/acschembio.5b00655 BindingDB Entry DOI: 10.7270/Q2SX6BZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase HCK (Homo sapiens (Human)) | BDBM163700 (N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(triflu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.43 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc. US Patent | Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening... | US Patent US10597387 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM163700 (N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(triflu...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 25.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc. US Patent | Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening... | US Patent US10597387 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM163700 (N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(triflu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute | Assay Description The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies. | ACS Chem Biol 10: 2687-96 (2015) Article DOI: 10.1021/acschembio.5b00655 BindingDB Entry DOI: 10.7270/Q2SX6BZ1 | |||||||||||
More data for this Ligand-Target Pair |