BDBM288514 (1S,3R)-3-(8-amino-1- {4-[(4- cyclopropylpyridin-2- yl)carbamoyl]-2- ethoxy-6- fluorophenyl}imidazo [1,5-a]pyrazin-3-yl)- 1,2,2- trimethylcyclopentane carboxylic acid::US10087188, Example 121

SMILES: CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1

InChI Key: InChIKey=XHDSBAPGNZUDIX-MQFAKOPTSA-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 = 288514   

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))	BDBM288514 ((1S,3R)-3-(8-amino-1- {4-[(4- cyclopropylpyridin-2...) Show SMILES CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1 |r,wU:13.13,16.18,wD:16.17,(4.24,-.22,;3.85,-1.71,;2.36,-2.11,;1.27,-1.02,;1.67,.47,;.58,1.56,;-.91,1.16,;-1.31,-.33,;-2.8,-.73,;-.22,-1.42,;-.62,-2.91,;.29,-4.15,;-.62,-5.4,;.15,-6.73,;-.75,-7.98,;.15,-9.22,;1.62,-8.75,;2.39,-10.08,;3.16,-8.75,;3.93,-7.41,;3.93,-10.08,;1.62,-7.21,;3.16,-7.21,;2.39,-5.87,;-2.08,-4.92,;-3.42,-5.69,;-4.75,-4.92,;-4.75,-3.38,;-3.42,-2.61,;-3.42,-1.07,;-2.08,-3.38,;.98,3.04,;-.11,4.13,;2.46,3.44,;2.86,4.93,;1.77,6.02,;2.17,7.51,;3.66,7.9,;4.75,6.82,;4.35,5.33,;1.08,8.59,;.69,10.08,;-.4,8.99,)| Show InChI InChI=1S/C32H35FN6O4/c1-5-43-22-15-19(29(40)37-23-16-18(9-11-35-23)17-6-7-17)14-21(33)24(22)25-26-27(34)36-12-13-39(26)28(38-25)20-8-10-32(4,30(41)42)31(20,2)3/h9,11-17,20H,5-8,10H2,1-4H3,(H2,34,36)(H,41,42)(H,35,37,40)/t20-,32+/m0/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	0.370	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