BDBM50099510 1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-5-vinyl-1H-indol-3-yl]-propan-1-one::CHEMBL20937

SMILES: Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(C=C)ccc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=CJEMHYNHZXIHFV-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 = 50099510   

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))	BDBM50099510 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(C=C)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C32H33ClN2O2/c1-3-23-9-15-29-28(21-23)27(31(34(29)2)25-10-12-26(33)13-11-25)14-16-30(36)35-19-17-32(37,18-20-35)22-24-7-5-4-6-8-24/h3-13,15,21,37H,1,14,16-20,22H2,2H3	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair