Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM317628'   

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))	BDBM317628 (3-(4-{5- Amino-4-[4- (3-methoxy- benzyl)-1H- indol...) Show SMILES COc1cccc(Cc2cccc3[nH]c(cc23)C(=O)c2cnn(c2N)-c2ccc(Oc3cccc(c3)C#N)cc2C)c1 Show InChI InChI=1S/C34H27N5O3/c1-21-14-27(42-26-10-4-7-23(17-26)19-35)12-13-32(21)39-34(36)29(20-37-39)33(40)31-18-28-24(8-5-11-30(28)38-31)15-22-6-3-9-25(16-22)41-2/h3-14,16-18,20,38H,15,36H2,1-2H3	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	21.1	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))	BDBM317628 (3-(4-{5- Amino-4-[4- (3-methoxy- benzyl)-1H- indol...) Show SMILES COc1cccc(Cc2cccc3[nH]c(cc23)C(=O)c2cnn(c2N)-c2ccc(Oc3cccc(c3)C#N)cc2C)c1 Show InChI InChI=1S/C34H27N5O3/c1-21-14-27(42-26-10-4-7-23(17-26)19-35)12-13-32(21)39-34(36)29(20-37-39)33(40)31-18-28-24(8-5-11-30(28)38-31)15-22-6-3-9-25(16-22)41-2/h3-14,16-18,20,38H,15,36H2,1-2H3	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	21.1	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))	BDBM317628 (3-(4-{5- Amino-4-[4- (3-methoxy- benzyl)-1H- indol...) Show SMILES COc1cccc(Cc2cccc3[nH]c(cc23)C(=O)c2cnn(c2N)-c2ccc(Oc3cccc(c3)C#N)cc2C)c1 Show InChI InChI=1S/C34H27N5O3/c1-21-14-27(42-26-10-4-7-23(17-26)19-35)12-13-32(21)39-34(36)29(20-37-39)33(40)31-18-28-24(8-5-11-30(28)38-31)15-22-6-3-9-25(16-22)41-2/h3-14,16-18,20,38H,15,36H2,1-2H3	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	21.1	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