Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epithelial discoidin domain-containing receptor 1' and Ligand = 'BDBM50368547'   

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
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368547 (CHEMBL4164448) Show SMILES CCc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-6-7-24(17-23(22)8-9-27-19-34-28-5-4-10-35-39(27)28)29(40)36-26-16-21(15-25(18-26)30(31,32)33)20-38-13-11-37(2)12-14-38/h4-7,10,15-19H,3,11-14,20H2,1-2H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
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