BDBM50134322 CHEMBL3746854

SMILES: CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ncccc5s4)c3C)cc2C1

InChI Key: InChIKey=KTOBNTQUYIOYAS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50134322   

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))	BDBM50134322 (CHEMBL3746854) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ncccc5s4)c3C)cc2C1 Show InChI InChI=1S/C26H23FN8O2S/c1-14-16(5-6-17(27)24(14)30-26(37)22-12-19-21(38-22)4-3-7-28-19)18-11-20(25(36)32-31-18)29-23-10-15-13-34(2)8-9-35(15)33-23/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134322 (CHEMBL3746854) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ncccc5s4)c3C)cc2C1 Show InChI InChI=1S/C26H23FN8O2S/c1-14-16(5-6-17(27)24(14)30-26(37)22-12-19-21(38-22)4-3-7-28-19)18-11-20(25(36)32-31-18)29-23-10-15-13-34(2)8-9-35(15)33-23/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair