BDBM267864 4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-3-yl)carbonyl]piperidin-3-yl}imidazo[1,5-a]pyrazin-1-yl)-2-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide::US9718828, Example, 477

SMILES: COc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=NCZRTNRBHFRRIH-GOSISDBHSA-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 3 hits for monomerid = 267864   

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))	BDBM267864 (4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...) Show SMILES COc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C30H30F3N7O4/c1-29(15-44-16-29)28(42)39-10-3-4-18(14-39)26-38-23(24-25(34)36-9-11-40(24)26)20-6-5-17(12-21(20)43-2)27(41)37-22-13-19(7-8-35-22)30(31,32)33/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t18-/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	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. 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 US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267864 (4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...) Show SMILES COc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C30H30F3N7O4/c1-29(15-44-16-29)28(42)39-10-3-4-18(14-39)26-38-23(24-25(34)36-9-11-40(24)26)20-6-5-17(12-21(20)43-2)27(41)37-22-13-19(7-8-35-22)30(31,32)33/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267864 (4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...) Show SMILES COc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C30H30F3N7O4/c1-29(15-44-16-29)28(42)39-10-3-4-18(14-39)26-38-23(24-25(34)36-9-11-40(24)26)20-6-5-17(12-21(20)43-2)27(41)37-22-13-19(7-8-35-22)30(31,32)33/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair