Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM340089'   

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))	BDBM340089 ((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...) Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H22FN7O2/c1-2-6-21(35)33-13-5-7-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-9-10-17(18(27)15-16)26(36)31-20-8-3-4-11-29-20/h3-4,8-12,14-15,19H,5,7,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/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	n/a	n/a	505	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM340089 ((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...) Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H22FN7O2/c1-2-6-21(35)33-13-5-7-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-9-10-17(18(27)15-16)26(36)31-20-8-3-4-11-29-20/h3-4,8-12,14-15,19H,5,7,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/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	n/a	n/a	55	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Btk enzyme (H...				US Patent US10934296 (2021) BindingDB Entry DOI: 10.7270/Q27947T2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM340089 ((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...) Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H22FN7O2/c1-2-6-21(35)33-13-5-7-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-9-10-17(18(27)15-16)26(36)31-20-8-3-4-11-29-20/h3-4,8-12,14-15,19H,5,7,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/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	n/a	n/a	55	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...				J Med Chem 48: 6169-73 (2005) BindingDB Entry DOI: 10.7270/Q20R9RQ4
					More data for this Ligand-Target Pair