Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM437966'   

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))	BDBM437966 (US10596172, Compound I-374 | US11351168, Compound ...) Show SMILES CC(C)[C@H](N)C(=O)OC[C@@H](C)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r| Show InChI InChI=1S/C27H30F2N6O4/c1-5-23(36)32-17-7-6-8-18(11-17)33-25-21(29)13-31-27(35-25)34-19-9-10-22(20(28)12-19)39-16(4)14-38-26(37)24(30)15(2)3/h5-13,15-16,24H,1,14,30H2,2-4H3,(H,32,36)(H2,31,33,34,35)/t16-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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))	BDBM437966 (US10596172, Compound I-374 | US11351168, Compound ...) Show SMILES CC(C)[C@H](N)C(=O)OC[C@@H](C)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r| Show InChI InChI=1S/C27H30F2N6O4/c1-5-23(36)32-17-7-6-8-18(11-17)33-25-21(29)13-31-27(35-25)34-19-9-10-22(20(28)12-19)39-16(4)14-38-26(37)24(30)15(2)3/h5-13,15-16,24H,1,14,30H2,2-4H3,(H,32,36)(H2,31,33,34,35)/t16-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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