BDBM267703 (R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl) piperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide::US9718828, Example, 305
SMILES: CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
InChI Key: InChIKey=AHBFBRPGNOVEBK-LJQANCHMSA-N
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)) | BDBM267703![]() ((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | n/a | n/a | <10 | 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 | ![]() 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM267703![]() ((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 8 | 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 BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta | 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 | ![]() 3D Structure (crystal) | ||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM267703![]() ((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 3.50E+3 | 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 human ERG by [35S]-MK499 displacement or iKr channel assay | 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)) | BDBM267703![]() ((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 0.300 | 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 | ![]() 3D Structure (crystal) |