BDBM267959 4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbonyl]azepan-3-yl}imidazo[1,5-a]pyrazin-1-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide::US9718828, Example, 575
SMILES: COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
InChI Key: InChIKey=OPHSZSZDICRBPP-MRXNPFEDSA-N
Data: 19 IC50
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 |
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Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | 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 TXK (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 45 | 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 TXK (unknown origin) | 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)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | 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 | 0.200 | 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 CSK (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 261 | 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 CSK (unknown origin) | 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 BRK (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 60 | 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 PTK6 (unknown origin) | 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 | |||||||||||||
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 71 | 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 ERBB4 (unknown origin) | 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 | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 55 | 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 SRC (unknown origin) | 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 Fgr (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 28 | 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 FGR (unknown origin) | 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 FRK (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 151 | 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 FRK (unknown origin) | 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 Blk (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9 | 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 BLK (unknown origin) | 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 | |||||||||||||
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 20 | 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 BMX (unknown origin) | Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W | |||||||||||
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1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.50E+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 Yes (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 37 | 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 YES1 (unknown origin) | 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 Fyn (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 188 | 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 FYN (unknown origin) | 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 Lck (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 LCK (unknown origin) | 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 TEC (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 63 | 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 TEC (unknown origin) | 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)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | 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 | 13 | 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 | |||||||||||||
SRC (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 19 | 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 SRMS (unknown origin) | 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 Lyn (Homo sapiens (Human)) | BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 74 | 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 LYNB (unknown origin) | 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 |