Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM389993'   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM389993 (4-amino-3-(4-phenoxyphenyl)-1- [(1-prop-2-enoyl-4-...) Show SMILES Nc1n[nH]c(=O)c2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C27H27N5O3/c1-2-23(33)31-14-12-18(13-15-31)16-32-17-22(24-25(32)27(34)30-29-26(24)28)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,28,29)(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...				Bioorg Med Chem Lett 17: 3972-7 (2007) BindingDB Entry DOI: 10.7270/Q2MG7RV0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM389993 (4-amino-3-(4-phenoxyphenyl)-1- [(1-prop-2-enoyl-4-...) Show SMILES Nc1n[nH]c(=O)c2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C27H27N5O3/c1-2-23(33)31-14-12-18(13-15-31)16-32-17-22(24-25(32)27(34)30-29-26(24)28)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,28,29)(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU HENGRUI MEDICINE CO., LTD. US Patent					Assay Description The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...				US Patent US10323037 (2019) BindingDB Entry DOI: 10.7270/Q2W098BW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM389993 (4-amino-3-(4-phenoxyphenyl)-1- [(1-prop-2-enoyl-4-...) Show SMILES Nc1n[nH]c(=O)c2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C27H27N5O3/c1-2-23(33)31-14-12-18(13-15-31)16-32-17-22(24-25(32)27(34)30-29-26(24)28)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,28,29)(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...				Bioorg Med Chem Lett 17: 3972-7 (2007) BindingDB Entry DOI: 10.7270/Q2MG7RV0
					More data for this Ligand-Target Pair