BDBM50421264 CHEMBL2087883

SMILES: CO[C@@H]1CCC[C@@H]1CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccc(OCCN(C)C)cc1

InChI Key: InChIKey=KKSRNTGKGARSOI-ISKFKSNPSA-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 = 50421264   

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))	BDBM50421264 (CHEMBL2087883) Show SMILES CO[C@@H]1CCC[C@@H]1CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccc(OCCN(C)C)cc1 |r| Show InChI InChI=1S/C29H35N5O2/c1-34(2)16-17-36-23-14-12-21(13-15-23)27-25(20-8-5-4-6-9-20)26-28(31-19-32-29(26)33-27)30-18-22-10-7-11-24(22)35-3/h4-6,8-9,12-15,19,22,24H,7,10-11,16-18H2,1-3H3,(H2,30,31,32,33)/t22-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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)	BDBM50421264 (CHEMBL2087883) Show SMILES CO[C@@H]1CCC[C@@H]1CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccc(OCCN(C)C)cc1 |r| Show InChI InChI=1S/C29H35N5O2/c1-34(2)16-17-36-23-14-12-21(13-15-23)27-25(20-8-5-4-6-9-20)26-28(31-19-32-29(26)33-27)30-18-22-10-7-11-24(22)35-3/h4-6,8-9,12-15,19,22,24H,7,10-11,16-18H2,1-3H3,(H2,30,31,32,33)/t22-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	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