BDBM50421253 CHEMBL2087871

SMILES: Cc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1

InChI Key: InChIKey=ZYYFHBOZYXOLIQ-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 = 50421253   

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))	BDBM50421253 (CHEMBL2087871) Show SMILES Cc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r,wU:17.17,(24.43,-22.73,;23.72,-21.96,;24.2,-20.5,;23.17,-19.35,;21.65,-19.68,;21.18,-21.14,;22.21,-22.28,;21.74,-23.74,;22.65,-25,;21.74,-26.25,;20.26,-25.77,;18.93,-26.54,;17.6,-25.77,;17.6,-24.23,;18.93,-23.46,;18.92,-21.92,;17.59,-21.15,;16.26,-21.93,;14.85,-21.31,;13.83,-22.45,;14.6,-23.79,;16.11,-23.46,;20.26,-24.22,;24.18,-24.99,;24.95,-26.33,;26.49,-26.33,;27.26,-24.99,;28.8,-24.99,;29.58,-26.32,;31.12,-26.32,;31.88,-24.99,;33.41,-24.82,;33.73,-23.31,;32.39,-22.54,;31.25,-23.58,;26.48,-23.66,;24.95,-23.66,)| Show InChI InChI=1S/C30H35N5O2/c1-21-7-2-3-9-25(21)26-27-29(31-19-24-8-6-17-36-24)32-20-33-30(27)34-28(26)22-10-12-23(13-11-22)37-18-16-35-14-4-5-15-35/h2-3,7,9-13,20,24H,4-6,8,14-19H2,1H3,(H2,31,32,33,34)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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)	BDBM50421253 (CHEMBL2087871) Show SMILES Cc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r,wU:17.17,(24.43,-22.73,;23.72,-21.96,;24.2,-20.5,;23.17,-19.35,;21.65,-19.68,;21.18,-21.14,;22.21,-22.28,;21.74,-23.74,;22.65,-25,;21.74,-26.25,;20.26,-25.77,;18.93,-26.54,;17.6,-25.77,;17.6,-24.23,;18.93,-23.46,;18.92,-21.92,;17.59,-21.15,;16.26,-21.93,;14.85,-21.31,;13.83,-22.45,;14.6,-23.79,;16.11,-23.46,;20.26,-24.22,;24.18,-24.99,;24.95,-26.33,;26.49,-26.33,;27.26,-24.99,;28.8,-24.99,;29.58,-26.32,;31.12,-26.32,;31.88,-24.99,;33.41,-24.82,;33.73,-23.31,;32.39,-22.54,;31.25,-23.58,;26.48,-23.66,;24.95,-23.66,)| Show InChI InChI=1S/C30H35N5O2/c1-21-7-2-3-9-25(21)26-27-29(31-19-24-8-6-17-36-24)32-20-33-30(27)34-28(26)22-10-12-23(13-11-22)37-18-16-35-14-4-5-15-35/h2-3,7,9-13,20,24H,4-6,8,14-19H2,1H3,(H2,31,32,33,34)/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