BDBM50409638 CHEMBL151356

SMILES: CC(=O)NC1(CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1

InChI Key: InChIKey=ASSBEMCEDOONKS-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 = 50409638   

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))	BDBM50409638 (CHEMBL151356) Show SMILES CC(=O)NC1(CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 Show InChI InChI=1S/C33H42Cl2N4O2/c1-24(40)36-33(26-5-3-2-4-6-26)14-17-38(18-15-33)28-21-37(22-28)16-13-32(27-9-10-29(34)30(35)19-27)12-11-31(41)39(23-32)20-25-7-8-25/h2-6,9-10,19,25,28H,7-8,11-18,20-23H2,1H3,(H,36,40)	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	3.16	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
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