Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM267819'   

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))	BDBM267819 (4-(8-amino-3-{(3S,6S)-6-(methoxymethyl)-1-[(3-meth...) Show SMILES COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)41-14-20(7-8-22(41)15-44-2)27-39-24(25-26(35)37-11-12-40(25)27)18-3-5-19(6-4-18)28(42)38-23-13-21(9-10-36-23)31(32,33)34/h3-6,9-13,20,22H,7-8,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267819 (4-(8-amino-3-{(3S,6S)-6-(methoxymethyl)-1-[(3-meth...) Show SMILES COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)41-14-20(7-8-22(41)15-44-2)27-39-24(25-26(35)37-11-12-40(25)27)18-3-5-19(6-4-18)28(42)38-23-13-21(9-10-36-23)31(32,33)34/h3-6,9-13,20,22H,7-8,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267819 (4-(8-amino-3-{(3S,6S)-6-(methoxymethyl)-1-[(3-meth...) Show SMILES COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)41-14-20(7-8-22(41)15-44-2)27-39-24(25-26(35)37-11-12-40(25)27)18-3-5-19(6-4-18)28(42)38-23-13-21(9-10-36-23)31(32,33)34/h3-6,9-13,20,22H,7-8,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-,22-/m1/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	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair