Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Discoidin domain-containing receptor 2' and Ligand = 'BDBM31824'   

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
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	558	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by FLiK assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by fluorescence spectroscopy				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Binding affinity to human DDR2 by Ambit assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair