BDBM50217052 CHEMBL106273

SMILES: FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)c4sc5ccccc5c4Cl)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F

InChI Key: InChIKey=YOFWXHCWDOJSFS-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 = 50217052   

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))	BDBM50217052 (CHEMBL106273) Show SMILES FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)c4sc5ccccc5c4Cl)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22ClF6N3O3S/c29-21-17-3-1-2-4-19(17)42-22(21)25(41)38-13-18-20(26(38)5-7-36-8-6-26)24(40)37(23(18)39)12-14-9-15(27(30,31)32)11-16(10-14)28(33,34)35/h1-4,9-11,18,20,36H,5-8,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 3073-6 (2002) BindingDB Entry DOI: 10.7270/Q23N25J3
					More data for this Ligand-Target Pair