Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM377722'   

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))	BDBM377722 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3,4-dimeth...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C Show InChI InChI=1S/C24H26N6O2/c1-15-5-8-20(12-16(15)2)32-19-9-6-17(7-10-19)22-21(24(27)31)23(26)30(28-22)18-4-3-11-29(13-18)14-25/h5-10,12,18H,3-4,11,13,26H2,1-2H3,(H2,27,31)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377722 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3,4-dimeth...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C Show InChI InChI=1S/C24H26N6O2/c1-15-5-8-20(12-16(15)2)32-19-9-6-17(7-10-19)22-21(24(27)31)23(26)30(28-22)18-4-3-11-29(13-18)14-25/h5-10,12,18H,3-4,11,13,26H2,1-2H3,(H2,27,31)	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	1.28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...				US Patent US10815213 (2020) BindingDB Entry DOI: 10.7270/Q2W95D87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377722 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3,4-dimeth...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C Show InChI InChI=1S/C24H26N6O2/c1-15-5-8-20(12-16(15)2)32-19-9-6-17(7-10-19)22-21(24(27)31)23(26)30(28-22)18-4-3-11-29(13-18)14-25/h5-10,12,18H,3-4,11,13,26H2,1-2H3,(H2,27,31)	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	1.28	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377722 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3,4-dimeth...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C Show InChI InChI=1S/C24H26N6O2/c1-15-5-8-20(12-16(15)2)32-19-9-6-17(7-10-19)22-21(24(27)31)23(26)30(28-22)18-4-3-11-29(13-18)14-25/h5-10,12,18H,3-4,11,13,26H2,1-2H3,(H2,27,31)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair