BindingDB logo
myBDB logout

BDBM50099556 3-[5-Chloro-2-(4-chloro-phenyl)-1-(2-hydroxy-ethyl)-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one::CHEMBL21909

SMILES: COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(CCO)c2ccc(Cl)cc12

InChI Key: InChIKey=GGQKWWASEAXXOF-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 = 50099556   
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))
BDBM50099556
PNG
(3-[5-Chloro-2-(4-chloro-phenyl)-1-(2-hydroxy-ethyl...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(CCO)c2ccc(Cl)cc12
Show InChI InChI=1S/C30H31Cl2N3O3/c1-38-28-5-3-2-4-27(28)33-14-16-34(17-15-33)29(37)13-11-24-25-20-23(32)10-12-26(25)35(18-19-36)30(24)21-6-8-22(31)9-7-21/h2-10,12,20,36H,11,13-19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.970n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

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: 1237-40 (2001)


Article DOI: 10.1016/s0960-894x(01)00183-4
BindingDB Entry DOI: 10.7270/Q2JS9PQM
More data for this
Ligand-Target Pair