BDBM50409631 CHEMBL345309

SMILES: NC1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1

InChI Key: InChIKey=XKOSPMBTYLWIKX-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 = 50409631   

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))	BDBM50409631 (CHEMBL345309) Show SMILES NC1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C25H36Cl2N4O/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)31(17-25)14-18-1-2-18)9-12-29-15-21(16-29)30-10-6-20(28)7-11-30/h3-4,13,18,20-21H,1-2,5-12,14-17,28H2	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	2	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