Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM259418'   

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))	BDBM259418 (US10457647, Example 17 | US11180460, Example 17 | ...) Show SMILES C[C@@H](COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)NC(=O)C=C |r| Show InChI InChI=1S/C27H27F2N5O3/c1-4-23(35)33-14(2)12-37-25-24(31-13-32-26(25)30)20-10-18(28)11-22(15(20)3)34-27(36)19-8-7-17(9-21(19)29)16-5-6-16/h4,7-11,13-14,16H,1,5-6,12H2,2-3H3,(H,33,35)(H,34,36)(H2,30,31,32)/t14-/m0/s1	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	5	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259418 (US10457647, Example 17 | US11180460, Example 17 | ...) Show SMILES C[C@@H](COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)NC(=O)C=C |r| Show InChI InChI=1S/C27H27F2N5O3/c1-4-23(35)33-14(2)12-37-25-24(31-13-32-26(25)30)20-10-18(28)11-22(15(20)3)34-27(36)19-8-7-17(9-21(19)29)16-5-6-16/h4,7-11,13-14,16H,1,5-6,12H2,2-3H3,(H,33,35)(H,34,36)(H2,30,31,32)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q9F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259418 (US10457647, Example 17 | US11180460, Example 17 | ...) Show SMILES C[C@@H](COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)NC(=O)C=C |r| Show InChI InChI=1S/C27H27F2N5O3/c1-4-23(35)33-14(2)12-37-25-24(31-13-32-26(25)30)20-10-18(28)11-22(15(20)3)34-27(36)19-8-7-17(9-21(19)29)16-5-6-16/h4,7-11,13-14,16H,1,5-6,12H2,2-3H3,(H,33,35)(H,34,36)(H2,30,31,32)/t14-/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				Citation and Details BindingDB Entry DOI: 10.7270/Q20R9SKR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259418 (US10457647, Example 17 | US11180460, Example 17 | ...) Show SMILES C[C@@H](COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)NC(=O)C=C |r| Show InChI InChI=1S/C27H27F2N5O3/c1-4-23(35)33-14(2)12-37-25-24(31-13-32-26(25)30)20-10-18(28)11-22(15(20)3)34-27(36)19-8-7-17(9-21(19)29)16-5-6-16/h4,7-11,13-14,16H,1,5-6,12H2,2-3H3,(H,33,35)(H,34,36)(H2,30,31,32)/t14-/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US10457647 (2019) BindingDB Entry DOI: 10.7270/Q2KH0QPQ
					More data for this Ligand-Target Pair