BDBM50175583 ACP-196::Acalabrutinib::US10239883, Example 6::US10793576, Example ACP-196::US10919899, ACP-196::US10934296, Example 6::US11420975, Acalabrutinlb::US9758524, Example 6

SMILES: C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5

InChI Key: InChIKey=VSFINVOSLLRTIP-UHFFFAOYSA-N

Data: 43 IC50  18 Kd  18 EC50

PDB links: 1 PDB ID matches this monomer.

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 99 hits for monomerid = 50175583   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	598	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ADP-sugar pyrophosphatase (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Human)	BDBM50175583 (ACP-196 | Acalabrutinib | US9758524, Example 6 | U...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair