BDBM50064867 CHEMBL3401288

SMILES: Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1

InChI Key: InChIKey=VYGROVXFZCNUMO-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 = 50064867   

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))	BDBM50064867 (CHEMBL3401288) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1 Show InChI InChI=1S/C28H26N6O2S/c1-17-20(7-5-8-21(17)32-27(35)24-14-18-6-3-4-9-23(18)37-24)22-16-33(2)28(36)26(31-22)30-19-10-12-34-13-11-29-25(34)15-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	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 method				Bioorg Med Chem Lett 25: 1333-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.032 BindingDB Entry DOI: 10.7270/Q26Q1ZXS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50064867 (CHEMBL3401288) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1 Show InChI InChI=1S/C28H26N6O2S/c1-17-20(7-5-8-21(17)32-27(35)24-14-18-6-3-4-9-23(18)37-24)22-16-33(2)28(36)26(31-22)30-19-10-12-34-13-11-29-25(34)15-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...				Bioorg Med Chem Lett 25: 1333-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.032 BindingDB Entry DOI: 10.7270/Q26Q1ZXS
					More data for this Ligand-Target Pair