BDBM50285949 CHEMBL97140::N*6*-(4-Chloro-phenyl)-8-isopropyl-N*2*-propyl-9H-purine-2,6-diamine

SMILES: CCCNc1nc(Nc2ccc(Cl)cc2)c2[nH]c(nc2n1)C(C)C

InChI Key: InChIKey=GNPVEPKPNLXABB-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 = 50285949   

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))	BDBM50285949 (CHEMBL97140 | N*6*-(4-Chloro-phenyl)-8-isopropyl-N...) Show SMILES CCCNc1nc(Nc2ccc(Cl)cc2)c2[nH]c(nc2n1)C(C)C Show InChI InChI=1S/C17H21ClN6/c1-4-9-19-17-23-15(20-12-7-5-11(18)6-8-12)13-16(24-17)22-14(21-13)10(2)3/h5-8,10H,4,9H2,1-3H3,(H3,19,20,21,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.49E+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