BDBM50213831 CHEMBL544891

SMILES: Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1S(C)(=O)=O

InChI Key: InChIKey=LDKHPQCZDZTPDG-OINVMNEBSA-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 = 50213831   

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))	BDBM50213831 (CHEMBL544891) Show SMILES Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1S(C)(=O)=O |r| Show InChI InChI=1S/C21H26N6O3S.2ClH/c1-30-19-11-10-17(27-21(24-25-26-27)31(2,28)29)13-16(19)14-23-18-9-6-12-22-20(18)15-7-4-3-5-8-15;;/h3-5,7-8,10-11,13,18,20,22-23H,6,9,12,14H2,1-2H3;2*1H/t18-,20-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chinese hamster ovary cells				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8VB5
					More data for this Ligand-Target Pair