Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM324345'   

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))	BDBM324345 (5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...) Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25+/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324345 (5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...) Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25+/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10961237 (2021) BindingDB Entry DOI: 10.7270/Q2GH9N29
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324345 (5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...) Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25+/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	505	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				J Med Chem 51: 1730-9 (2008) BindingDB Entry DOI: 10.7270/Q25M681D
					More data for this Ligand-Target Pair