BDBM50083640 CHEMBL112172::[4-(6-[1,4]Diazepan-1-yl-pyridin-3-yl)-pyrimidin-2-yl]-(3,4,5-trimethoxy-phenyl)-amine

SMILES: COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCCNCC2)cc(OC)c1OC

InChI Key: InChIKey=GAUQBXYKJDLZPM-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50083640   

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-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50083640 (CHEMBL112172 | [4-(6-[1,4]Diazepan-1-yl-pyridin-3-...) Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCCNCC2)cc(OC)c1OC Show InChI InChI=1S/C23H28N6O3/c1-30-19-13-17(14-20(31-2)22(19)32-3)27-23-25-9-7-18(28-23)16-5-6-21(26-15-16)29-11-4-8-24-10-12-29/h5-7,9,13-15,24H,4,8,10-12H2,1-3H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Celltech Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.				Bioorg Med Chem Lett 9: 3351-6 (2000) BindingDB Entry DOI: 10.7270/Q29Z943G
					More data for this Ligand-Target Pair