Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 1' and Ligand = 'BDBM50244676'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244676 (CHEMBL4100309) Show SMILES CN1c2ccccc2OC[C@H](N2CCn3nc(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C22H21N5O3/c1-25-16-9-5-6-10-18(16)30-14-17(21(25)28)26-11-12-27-20(22(26)29)23-19(24-27)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
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