BDBM267578 4-(8-amino-3-((trans)-3-isobutyramidocyclohexyl) imidazo [1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide::US9718828, Example, 168

SMILES: CC1(COC1)C(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=HZDBEXIKODAUAJ-TZIWHRDSSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 267578   

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))	BDBM267578 (4-(8-amino-3-((trans)-3-isobutyramidocyclohexyl) i...) Show SMILES CC1(COC1)C(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H30F3N7O3/c1-29(15-43-16-29)28(42)37-21-4-2-3-19(13-21)26-39-23(24-25(34)36-11-12-40(24)26)17-5-7-18(8-6-17)27(41)38-22-14-20(9-10-35-22)30(31,32)33/h5-12,14,19,21H,2-4,13,15-16H2,1H3,(H2,34,36)(H,37,42)(H,35,38,41)/t19-,21-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267578 (4-(8-amino-3-((trans)-3-isobutyramidocyclohexyl) i...) Show SMILES CC1(COC1)C(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H30F3N7O3/c1-29(15-43-16-29)28(42)37-21-4-2-3-19(13-21)26-39-23(24-25(34)36-11-12-40(24)26)17-5-7-18(8-6-17)27(41)38-22-14-20(9-10-35-22)30(31,32)33/h5-12,14,19,21H,2-4,13,15-16H2,1H3,(H2,34,36)(H,37,42)(H,35,38,41)/t19-,21-/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	n/a	n/a	55	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair