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BDBM50289186 1-{2-[3-(3,4-Dichloro-phenyl)-1-(2-methoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide::CHEMBL176682

SMILES: COc1ccccc1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=VMXIXFZELDQUJS-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50289186   
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))
BDBM50289186
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2-methoxy-benzoyl...)
Show SMILES COc1ccccc1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C32H35Cl2N3O3/c1-40-28-10-6-5-9-25(28)29(38)37-20-14-31(22-37,24-11-12-26(33)27(34)21-24)13-17-36-18-15-32(16-19-36,30(35)39)23-7-3-2-4-8-23/h2-12,21H,13-20,22H2,1H3,(H2,35,39)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 74n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP


Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50289186
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2-methoxy-benzoyl...)
Show SMILES COc1ccccc1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C32H35Cl2N3O3/c1-40-28-10-6-5-9-25(28)29(38)37-20-14-31(22-37,24-11-12-26(33)27(34)21-24)13-17-36-18-15-32(16-19-36,30(35)39)23-7-3-2-4-8-23/h2-12,21H,13-20,22H2,1H3,(H2,35,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA


Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair