Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM317625'   

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))	BDBM317625 (3-(4-{5- Amino-4-[4- (1H-pyrazol-4- yl)-1H-indole-...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N Show InChI InChI=1S/C29H21N7O2/c1-17-10-21(38-20-5-2-4-18(11-20)13-30)8-9-27(17)36-29(31)24(16-34-36)28(37)26-12-23-22(19-14-32-33-15-19)6-3-7-25(23)35-26/h2-12,14-16,35H,31H2,1H3,(H,32,33)	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	8.38	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))	BDBM317625 (3-(4-{5- Amino-4-[4- (1H-pyrazol-4- yl)-1H-indole-...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N Show InChI InChI=1S/C29H21N7O2/c1-17-10-21(38-20-5-2-4-18(11-20)13-30)8-9-27(17)36-29(31)24(16-34-36)28(37)26-12-23-22(19-14-32-33-15-19)6-3-7-25(23)35-26/h2-12,14-16,35H,31H2,1H3,(H,32,33)	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	8.38	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))	BDBM317625 (3-(4-{5- Amino-4-[4- (1H-pyrazol-4- yl)-1H-indole-...) Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N Show InChI InChI=1S/C29H21N7O2/c1-17-10-21(38-20-5-2-4-18(11-20)13-30)8-9-27(17)36-29(31)24(16-34-36)28(37)26-12-23-22(19-14-32-33-15-19)6-3-7-25(23)35-26/h2-12,14-16,35H,31H2,1H3,(H,32,33)	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	8.38	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