Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM437971'   

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))	BDBM437971 (US10596172, Compound I-379 | US11351168, Compound ...) Show SMILES Fc1cnc(Nc2ccc(OCCOCCOCCN=[N+]=[N-])cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H27FN8O4/c1-2-23(35)30-19-4-3-5-20(16-19)31-24-22(26)17-28-25(33-24)32-18-6-8-21(9-7-18)38-15-14-37-13-12-36-11-10-29-34-27/h2-9,16-17H,1,10-15H2,(H,30,35)(H2,28,31,32,33)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437971 (US10596172, Compound I-379 | US11351168, Compound ...) Show SMILES Fc1cnc(Nc2ccc(OCCOCCOCCN=[N+]=[N-])cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H27FN8O4/c1-2-23(35)30-19-4-3-5-20(16-19)31-24-22(26)17-28-25(33-24)32-18-6-8-21(9-7-18)38-15-14-37-13-12-36-11-10-29-34-27/h2-9,16-17H,1,10-15H2,(H,30,35)(H2,28,31,32,33)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FHZ
					More data for this Ligand-Target Pair