BDBM50064874 CHEMBL3401270

SMILES: Cc1c(NC(=O)c2ccc(cc2)C(C)(C)O)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1

InChI Key: InChIKey=BAIPMFRRLZWORK-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 = 50064874   

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))	BDBM50064874 (CHEMBL3401270) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)O)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H35N5O5/c1-21-26(6-5-7-27(21)36-30(39)22-8-12-24(13-9-22)33(2,3)42)28-20-37(4)32(41)29(35-28)34-25-14-10-23(11-15-25)31(40)38-16-18-43-19-17-38/h5-15,20,42H,16-19H2,1-4H3,(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 Similars	Article PubMed	n/a	n/a	150	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)	BDBM50064874 (CHEMBL3401270) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)O)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H35N5O5/c1-21-26(6-5-7-27(21)36-30(39)22-8-12-24(13-9-22)33(2,3)42)28-20-37(4)32(41)29(35-28)34-25-14-10-23(11-15-25)31(40)38-16-18-43-19-17-38/h5-15,20,42H,16-19H2,1-4H3,(H,34,35)(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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