BDBM50421262 CHEMBL2087880

SMILES: CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CC[C@H]3O)c2c1-c1ccccc1

InChI Key: InChIKey=KETKNUMQXCOGMK-RBBKRZOGSA-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 = 50421262   

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))	BDBM50421262 (CHEMBL2087880) Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CC[C@H]3O)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O2/c1-32(2)14-15-34-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)24-26(29-17-30-27(24)31-25)28-16-20-10-13-22(20)33/h3-9,11-12,17,20,22,33H,10,13-16H2,1-2H3,(H2,28,29,30,31)/t20-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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)	BDBM50421262 (CHEMBL2087880) Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CC[C@H]3O)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O2/c1-32(2)14-15-34-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)24-26(29-17-30-27(24)31-25)28-16-20-10-13-22(20)33/h3-9,11-12,17,20,22,33H,10,13-16H2,1-2H3,(H2,28,29,30,31)/t20-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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