Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM250063'   

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))	BDBM250063 (US10005782, Compound 188 | US9447106, 188 | US9556...) Show SMILES CN(C)CC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C30H34N6O3/c1-34(2)18-6-9-26(37)35-19-15-21(16-20-35)25-14-17-32-30-27(29(31)38)28(33-36(25)30)22-10-12-24(13-11-22)39-23-7-4-3-5-8-23/h3-5,7-8,10-13,21,25,32H,14-20H2,1-2H3,(H2,31,38)/t25-/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	1.10	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9447106 (2016) BindingDB Entry DOI: 10.7270/Q21Z439C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250063 (US10005782, Compound 188 | US9447106, 188 | US9556...) Show SMILES CN(C)CC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C30H34N6O3/c1-34(2)18-6-9-26(37)35-19-15-21(16-20-35)25-14-17-32-30-27(29(31)38)28(33-36(25)30)22-10-12-24(13-11-22)39-23-7-4-3-5-8-23/h3-5,7-8,10-13,21,25,32H,14-20H2,1-2H3,(H2,31,38)/t25-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				Bioorg Med Chem 17: 7755-68 (2009) BindingDB Entry DOI: 10.7270/Q29889BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250063 (US10005782, Compound 188 | US9447106, 188 | US9556...) Show SMILES CN(C)CC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C30H34N6O3/c1-34(2)18-6-9-26(37)35-19-15-21(16-20-35)25-14-17-32-30-27(29(31)38)28(33-36(25)30)22-10-12-24(13-11-22)39-23-7-4-3-5-8-23/h3-5,7-8,10-13,21,25,32H,14-20H2,1-2H3,(H2,31,38)/t25-/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	1.10	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9556188 (2017) BindingDB Entry DOI: 10.7270/Q26Q2082
					More data for this Ligand-Target Pair