BDBM50409636 CHEMBL151088

SMILES: CC(=O)N1CCN(CC1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1

InChI Key: InChIKey=NMGGACXWAFDXAC-UHFFFAOYSA-N

Data: 1 Kd

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 = 50409636   

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))	BDBM50409636 (CHEMBL151088) Show SMILES CC(=O)N1CCN(CC1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C29H36Cl2N4O2/c1-22(36)33-13-15-34(16-14-33)25-19-32(20-25)12-11-29(24-7-8-26(30)27(31)17-24)10-9-28(37)35(21-29)18-23-5-3-2-4-6-23/h2-8,17,25H,9-16,18-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay				J Med Chem 45: 5365-77 (2002) BindingDB Entry DOI: 10.7270/Q2JD4Z0T
					More data for this Ligand-Target Pair