BindingDB PrimarySearch

BDBM50388189 CHEMBL2057918

SMILES: CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1

InChI Key: InChIKey=ZTUJNJAKTLHBEX-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50388189
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction in IgM-induced calcium influx incubated for 20 mins by Fluo-4 dye based fluorescence ass...				Bioorg Med Chem 23: 348-64 (2015) Article DOI: 10.1016/j.bmc.2014.11.006 BindingDB Entry DOI: 10.7270/Q23B61RJ
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) using biotin-labeled peptide substrate incubated for 1 hr by TR-FRET based HTRF kinase assay				Bioorg Med Chem 23: 348-64 (2015) Article DOI: 10.1016/j.bmc.2014.11.006 BindingDB Entry DOI: 10.7270/Q23B61RJ
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells after 20 mins by fluorescence assay				Bioorg Med Chem 23: 891-901 (2015) Article DOI: 10.1016/j.bmc.2014.10.043 BindingDB Entry DOI: 10.7270/Q2SN0BNZ
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) after 1 hr by TR-FRET analysis				Bioorg Med Chem 23: 891-901 (2015) Article DOI: 10.1016/j.bmc.2014.10.043 BindingDB Entry DOI: 10.7270/Q2SN0BNZ
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Competitive inhibition of BTK by TR-FRET based competitive assay				J Med Chem 55: 4539-50 (2012) Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Shaanxi University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) assessed as reduction in TNF production				Eur J Med Chem 151: 315-326 (2018) Article DOI: 10.1016/j.ejmech.2018.03.062 BindingDB Entry DOI: 10.7270/Q2JS9SZ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) BindingDB Entry DOI: 10.7270/Q25T3NR9
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shaanxi University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin)				Eur J Med Chem 151: 315-326 (2018) Article DOI: 10.1016/j.ejmech.2018.03.062 BindingDB Entry DOI: 10.7270/Q2JS9SZ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase TEC (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Shaanxi University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of TEC (unknown origin)				Eur J Med Chem 151: 315-326 (2018) Article DOI: 10.1016/j.ejmech.2018.03.062 BindingDB Entry DOI: 10.7270/Q2JS9SZ0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Shaanxi University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of SLK (unknown origin)				Eur J Med Chem 151: 315-326 (2018) Article DOI: 10.1016/j.ejmech.2018.03.062 BindingDB Entry DOI: 10.7270/Q2JS9SZ0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) BindingDB Entry DOI: 10.7270/Q25T3NR9
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)