BDBM50217053 CHEMBL102917

SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1

InChI Key: InChIKey=XVXLZWKAPZUIGE-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 = 50217053   

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))	BDBM50217053 (CHEMBL102917) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C33H26F6N4O7S/c34-32(35,36)19-12-18(13-20(14-19)33(37,38)39)28(45)42-16-23-27(30(47)43(29(23)46)21-4-2-1-3-5-21)31(42)8-10-41(11-9-31)51(48,49)22-6-7-25-24(15-22)40-26(44)17-50-25/h1-7,12-15,23,27H,8-11,16-17H2,(H,40,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	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