Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM288482'   

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))	BDBM288482 ((1S,3R)-3-[8-amino-1- (4-{[4- (trifluoromethyl) py...) Show SMILES CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C29H29F3N6O3/c1-16(2)28(27(40)41)10-3-4-19(15-28)25-37-22(23-24(33)35-12-13-38(23)25)17-5-7-18(8-6-17)26(39)36-21-14-20(9-11-34-21)29(30,31)32/h5-9,11-14,16,19H,3-4,10,15H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39)/t19-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co Inc Curated by ChEMBL					Assay Description Inhibition of 6-His-tagged recombinant full length BTK (unknown origin) expressed in baculovirus-transfected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-N...				Bioorg Med Chem Lett 27: 1471-1477 (2017) Article DOI: 10.1016/j.bmcl.2016.11.079 BindingDB Entry DOI: 10.7270/Q20867K5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288482 ((1S,3R)-3-[8-amino-1- (4-{[4- (trifluoromethyl) py...) Show SMILES CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C29H29F3N6O3/c1-16(2)28(27(40)41)10-3-4-19(15-28)25-37-22(23-24(33)35-12-13-38(23)25)17-5-7-18(8-6-17)26(39)36-21-14-20(9-11-34-21)29(30,31)32/h5-9,11-14,16,19H,3-4,10,15H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39)/t19-,28+/m1/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288482 ((1S,3R)-3-[8-amino-1- (4-{[4- (trifluoromethyl) py...) Show SMILES CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C29H29F3N6O3/c1-16(2)28(27(40)41)10-3-4-19(15-28)25-37-22(23-24(33)35-12-13-38(23)25)17-5-7-18(8-6-17)26(39)36-21-14-20(9-11-34-21)29(30,31)32/h5-9,11-14,16,19H,3-4,10,15H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39)/t19-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co Inc Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC				Bioorg Med Chem Lett 27: 1471-1477 (2017) Article DOI: 10.1016/j.bmcl.2016.11.079 BindingDB Entry DOI: 10.7270/Q20867K5
					More data for this Ligand-Target Pair