BDBM50285958 (4-Chloro-phenyl)-[2-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-8-isopropyl-9H-purin-6-yl]-amine::CHEMBL329749

SMILES: CC(C)c1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCC2(CC1)OCCO2

InChI Key: InChIKey=ZYBGJEKGOZDOOD-UHFFFAOYSA-N

Data: 1 KI

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 = 50285958   

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
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50285958 ((4-Chloro-phenyl)-[2-(1,4-dioxa-8-aza-spiro[4.5]de...) Show SMILES CC(C)c1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C21H25ClN6O2/c1-13(2)17-24-16-18(23-15-5-3-14(22)4-6-15)26-20(27-19(16)25-17)28-9-7-21(8-10-28)29-11-12-30-21/h3-6,13H,7-12H2,1-2H3,(H2,23,24,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-NKA from the cloned human Tachykinin receptor 2 which has been expressed in baculovirus infected insect sf21 cells				Bioorg Med Chem Lett 5: 2879-2884 (1995) Article DOI: 10.1016/0960-894X(95)00502-K BindingDB Entry DOI: 10.7270/Q2DV1JTQ
					More data for this Ligand-Target Pair