BindingDB logo
myBDB logout

null

SMILES: OC1(Cc2ccccc2)CCN(CC1)C(=O)CCc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1

InChI Key: InChIKey=ABOQXCXLCHOJSM-UHFFFAOYSA-N

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 = 50099519   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))		BDBM50099519
PNG
(1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[6-chloro-...)
Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)CCc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27Cl2N3O2/c29-22-8-6-21(7-9-22)27-24(33-19-23(30)10-12-25(33)31-27)11-13-26(34)32-16-14-28(35,15-17-32)18-20-4-2-1-3-5-20/h1-10,12,19,35H,11,13-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.780n/an/an/an/an/an/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