BDBM50106773 3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclohexyl-piperazin-1-yl)-propan-1-one::CHEMBL102730

SMILES: Cn1c(c(CCC(=O)N2CCN(CC2)C2CCCCC2)c2cc(Cl)ccc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=BDUFSRWYMLBPMN-UHFFFAOYSA-N

Data: 1 IC50

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 = 50106773   

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))	BDBM50106773 (3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-...) Show SMILES Cn1c(c(CCC(=O)N2CCN(CC2)C2CCCCC2)c2cc(Cl)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H33Cl2N3O/c1-31-26-13-11-22(30)19-25(26)24(28(31)20-7-9-21(29)10-8-20)12-14-27(34)33-17-15-32(16-18-33)23-5-3-2-4-6-23/h7-11,13,19,23H,2-6,12,14-18H2,1H3	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	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-labeled substance P from human cloned Tachykinin receptor 1 in CHO cells.				Bioorg Med Chem Lett 11: 3031-4 (2001) BindingDB Entry DOI: 10.7270/Q2C24VQ0
					More data for this Ligand-Target Pair