BDBM50285952 CHEMBL321137::N*2*-(3-Amino-propyl)-N*6*-(4-chloro-phenyl)-8-isopropyl-9H-purine-2,6-diamine

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

InChI Key: InChIKey=KCUOJCMDBOIBGL-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 = 50285952   

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))	BDBM50285952 (CHEMBL321137 | N*2*-(3-Amino-propyl)-N*6*-(4-chlor...) Show SMILES CC(C)c1nc2nc(NCCCN)nc(Nc3ccc(Cl)cc3)c2[nH]1 Show InChI InChI=1S/C17H22ClN7/c1-10(2)14-22-13-15(21-12-6-4-11(18)5-7-12)24-17(20-9-3-8-19)25-16(13)23-14/h4-7,10H,3,8-9,19H2,1-2H3,(H3,20,21,22,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.55E+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