Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epithelial discoidin domain-containing receptor 1' and Ligand = 'BDBM50260041'   

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))	BDBM50260041 (CHEMBL4097012) Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C29H33F3N6O/c1-20-16-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(20)23)28(39)35-25-11-21(10-24(13-25)29(30,31)32)17-37-7-3-6-36(2)8-9-37/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,35,39)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...				ACS Med Chem Lett 8: 327-332 (2017) Article DOI: 10.1021/acsmedchemlett.6b00497 BindingDB Entry DOI: 10.7270/Q2N0190M
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50260041 (CHEMBL4097012) Show SMILES C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C29H33F3N6O/c1-20-16-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(20)23)28(39)35-25-11-21(10-24(13-25)29(30,31)32)17-37-7-3-6-36(2)8-9-37/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,35,39)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to human DNA-tagged DDR1 expressed in bacterial expression system measured after 1 hr by quantitative PCR analysis				ACS Med Chem Lett 8: 327-332 (2017) Article DOI: 10.1021/acsmedchemlett.6b00497 BindingDB Entry DOI: 10.7270/Q2N0190M
					More data for this Ligand-Target Pair