BDBM50470679 CHEMBL146210

SMILES: COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nccn1C

InChI Key: InChIKey=PTHKZKTYSDDBIQ-UNMCSNQZSA-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 = 50470679   

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 1 receptor (Homo sapiens (Human))	BDBM50470679 (CHEMBL146210) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nccn1C Show InChI InChI=1S/C23H28N4O/c1-27-14-13-25-23(27)18-10-11-21(28-2)19(15-18)16-26-20-9-6-12-24-22(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,20,22,24,26H,6,9,12,16H2,1-2H3/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair