BDBM50421280 CHEMBL2087656

SMILES: C(CN1CCOCC1)Oc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1

InChI Key: InChIKey=GTSNNTDAKWQGOW-DEOSSOPVSA-N

Data: 1 KI  1 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 = 50421280   

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 kinase non-receptor protein 2 (Homo sapiens (Human))	BDBM50421280 (CHEMBL2087656) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C29H32N4O4/c1-2-5-21(6-3-1)25-26-28(30-19-24-7-4-15-35-24)31-20-32-29(26)37-27(25)22-8-10-23(11-9-22)36-18-14-33-12-16-34-17-13-33/h1-3,5-6,8-11,20,24H,4,7,12-19H2,(H,30,31,32)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...				Bioorg Med Chem Lett 22: 6212-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.020 BindingDB Entry DOI: 10.7270/Q2VH5Q4X
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Mus musculus)	BDBM50421280 (CHEMBL2087656) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C29H32N4O4/c1-2-5-21(6-3-1)25-26-28(30-19-24-7-4-15-35-24)31-20-32-29(26)37-27(25)22-8-10-23(11-9-22)36-18-14-33-12-16-34-17-13-33/h1-3,5-6,8-11,20,24H,4,7,12-19H2,(H,30,31,32)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs				Bioorg Med Chem Lett 22: 6212-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.020 BindingDB Entry DOI: 10.7270/Q2VH5Q4X
					More data for this Ligand-Target Pair