BDBM368413 3-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- ((1-methyl-1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-2,3,4,5-tetrahydro- 1H-benzo[c]azepin-5-yl)- 1,2,4-oxadiazole-5- carboxamide::US10227341, Compound 68

SMILES: Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(s2)C(C)(C)C)cn1

InChI Key: InChIKey=XFQPZAXWTUJORP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 368413   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM368413 (3-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(s2)C(C)(C)C)cn1 |(7.53,-4.6,;5.99,-4.6,;5.08,-5.85,;3.62,-5.37,;2.28,-6.14,;.95,-5.37,;-.38,-6.14,;-1.72,-5.37,;-1.72,-3.83,;-.38,-3.06,;.95,-3.83,;-.38,-1.52,;.95,-.75,;.95,.79,;-.49,1.53,;-.49,3.17,;-1.69,4.13,;-3.19,3.79,;-3.86,2.4,;-3.19,1.02,;-1.69,.67,;-1.72,-.75,;-5.35,2.8,;-6.12,4.14,;-7.45,3.37,;-8.94,3.76,;-6.68,2.03,;.83,3.98,;2.18,3.24,;2.21,1.7,;3.49,4.04,;3.49,5.58,;4.96,6.06,;5.86,4.81,;4.96,3.57,;7.4,4.81,;8.17,6.14,;8.17,3.48,;8.94,4.81,;3.62,-3.83,;5.08,-3.36,)| Show InChI InChI=1S/C29H35N9O2S/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)	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	505	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				J Med Chem 51: 1730-9 (2008) BindingDB Entry DOI: 10.7270/Q25M681D
					More data for this Ligand-Target Pair