BDBM50337136 4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide::CHEMBL1673048
SMILES: COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
InChI Key: InChIKey=QRVNXVTYIYXPER-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Extracellular signal-regulated kinase 5 (ERK5) (Homo sapiens (Human)) | BDBM50337136 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis | ACS Med Chem Lett 2: 195-200 (2011) Article DOI: 10.1021/ml100304b BindingDB Entry DOI: 10.7270/Q2222VSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human)) | BDBM50337136 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO... | J Med Chem 63: 7817-7826 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50337136 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) by AlphaScreen displacement assay | J Med Chem 63: 7817-7826 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Extracellular signal-regulated kinase 5 (ERK5) (Homo sapiens (Human)) | BDBM50337136 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of ERK5 in human HeLa cells assessed as reduction in EGF-induced ERK5 autophosphorylation pretreated for 1 hr followed by EGF stimulation ... | J Med Chem 63: 7817-7826 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50337136 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as... | J Med Chem 63: 7817-7826 (2020) | |||||||||||
More data for this Ligand-Target Pair |