Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM317617'   

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))	BDBM317617 (US10640491, Compound 6 | US11104668, Compound 6 | ...) Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)C(=O)N2CCOCC2)c1N Show InChI InChI=1S/C30H25F2N5O4/c1-17-14-18(41-26-7-3-5-22(31)27(26)32)8-9-25(17)37-29(33)21(16-34-37)28(38)24-15-20-19(4-2-6-23(20)35-24)30(39)36-10-12-40-13-11-36/h2-9,14-16,35H,10-13,33H2,1H3	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	11.9	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC.; CHUGAI PHARMACEUTICAL CO. US Patent					Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...				US Patent US9624201 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63NB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM317617 (US10640491, Compound 6 | US11104668, Compound 6 | ...) Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)C(=O)N2CCOCC2)c1N Show InChI InChI=1S/C30H25F2N5O4/c1-17-14-18(41-26-7-3-5-22(31)27(26)32)8-9-25(17)37-29(33)21(16-34-37)28(38)24-15-20-19(4-2-6-23(20)35-24)30(39)36-10-12-40-13-11-36/h2-9,14-16,35H,10-13,33H2,1H3	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	11.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2R49TX8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM317617 (US10640491, Compound 6 | US11104668, Compound 6 | ...) Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)C(=O)N2CCOCC2)c1N Show InChI InChI=1S/C30H25F2N5O4/c1-17-14-18(41-26-7-3-5-22(31)27(26)32)8-9-25(17)37-29(33)21(16-34-37)28(38)24-15-20-19(4-2-6-23(20)35-24)30(39)36-10-12-40-13-11-36/h2-9,14-16,35H,10-13,33H2,1H3	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	11.9	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640491 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PNF
					More data for this Ligand-Target Pair