BDBM50064866 CHEMBL3401289

SMILES: CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1

InChI Key: InChIKey=DONOECLEYDOSFM-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 = 50064866   

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))	BDBM50064866 (CHEMBL3401289) Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C33H37N5O2S/c1-21-26(8-6-9-27(21)36-32(39)30-19-24-7-4-5-10-29(24)41-30)28-20-38(3)33(40)31(35-28)34-25-13-11-22(12-14-25)23-15-17-37(2)18-16-23/h6,8-9,11-14,19-20,23H,4-5,7,10,15-18H2,1-3H3,(H,34,35)(H,36,39)	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	10	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)	BDBM50064866 (CHEMBL3401289) Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C33H37N5O2S/c1-21-26(8-6-9-27(21)36-32(39)30-19-24-7-4-5-10-29(24)41-30)28-20-38(3)33(40)31(35-28)34-25-13-11-22(12-14-25)23-15-17-37(2)18-16-23/h6,8-9,11-14,19-20,23H,4-5,7,10,15-18H2,1-3H3,(H,34,35)(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	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