BDBM50470670 CHEMBL149557

SMILES: COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccsc1

InChI Key: InChIKey=WCIIIOXFGGLKMU-GMAHTHKFSA-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 = 50470670   

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))	BDBM50470670 (CHEMBL149557) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccsc1 Show InChI InChI=1S/C23H26N2OS/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0316	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