Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM250016'   

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))	BDBM250016 (US10005782, Compound 138 | US9447106, 138 | US9556...) Show SMILES CC1(CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C28H31N5O3/c1-3-23(34)32-17-13-20(14-18-32)28(2)15-16-30-27-24(26(29)35)25(31-33(27)28)19-9-11-22(12-10-19)36-21-7-5-4-6-8-21/h3-12,20,30H,1,13-18H2,2H3,(H2,29,35)	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	1	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9447106 (2016) BindingDB Entry DOI: 10.7270/Q21Z439C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250016 (US10005782, Compound 138 | US9447106, 138 | US9556...) Show SMILES CC1(CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C28H31N5O3/c1-3-23(34)32-17-13-20(14-18-32)28(2)15-16-30-27-24(26(29)35)25(31-33(27)28)19-9-11-22(12-10-19)36-21-7-5-4-6-8-21/h3-12,20,30H,1,13-18H2,2H3,(H2,29,35)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				Bioorg Med Chem 17: 7755-68 (2009) BindingDB Entry DOI: 10.7270/Q29889BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250016 (US10005782, Compound 138 | US9447106, 138 | US9556...) Show SMILES CC1(CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C28H31N5O3/c1-3-23(34)32-17-13-20(14-18-32)28(2)15-16-30-27-24(26(29)35)25(31-33(27)28)19-9-11-22(12-10-19)36-21-7-5-4-6-8-21/h3-12,20,30H,1,13-18H2,2H3,(H2,29,35)	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	1	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9556188 (2017) BindingDB Entry DOI: 10.7270/Q26Q2082
					More data for this Ligand-Target Pair