Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM340036'   

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))	BDBM340036 (1-(3-chloro-2,6-difluorophenyl)-3-(3-fluoro- 4-(7-...) Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(Cl)c2F)cc1F Show InChI InChI=1S/C25H17ClF3N5O2/c1-11-9-30-23(32-11)15-5-4-13(16-10-31-24(35)20(15)16)14-3-2-12(8-19(14)28)33-25(36)34-22-18(27)7-6-17(26)21(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
CrystalGenomics, Inc. US Patent					Assay Description In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...				US Patent US9758508 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZDB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM340036 (1-(3-chloro-2,6-difluorophenyl)-3-(3-fluoro- 4-(7-...) Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(Cl)c2F)cc1F Show InChI InChI=1S/C25H17ClF3N5O2/c1-11-9-30-23(32-11)15-5-4-13(16-10-31-24(35)20(15)16)14-3-2-12(8-19(14)28)33-25(36)34-22-18(27)7-6-17(26)21(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PJ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM340036 (1-(3-chloro-2,6-difluorophenyl)-3-(3-fluoro- 4-(7-...) Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(Cl)c2F)cc1F Show InChI InChI=1S/C25H17ClF3N5O2/c1-11-9-30-23(32-11)15-5-4-13(16-10-31-24(35)20(15)16)14-3-2-12(8-19(14)28)33-25(36)34-22-18(27)7-6-17(26)21(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
CrystalGenomics, Inc. US Patent					Assay Description In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...				US Patent US10604508 (2020) BindingDB Entry DOI: 10.7270/Q2CF9T4N
					More data for this Ligand-Target Pair