BDBM50175494 1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide::3-((E)-3-Carboxy-3-phenyl-allyl)-4,6-dichloro-1H-indole-2-carboxylic acid::CHEMBL330366::MDL 104,335 (S)-enantiomer::MDL-105212

SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1

InChI Key InChIKey=WZMVQZJKOVPVGZ-UHFFFAOYSA-N

Data  10 KI  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50175494   

TargetSubstance-K receptor(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 21nMAssay Description:Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.More data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-P receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 6.20nMAssay Description:Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SPMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-K receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 19nMAssay Description:Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKAMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-P receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against neurokinin NK1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistamine H1 receptor(Human)
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 3nMAssay Description:Inhibition constant against histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistamine H1 receptor(Human)
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonism of the human histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-P receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 3nMAssay Description:Compound was evaluated for the antagonistic activity against NK1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-K receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 8nMAssay Description:Compound was evaluated for the antagonistic activity against Tachykinin receptor 2More data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-K receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 8.40nMAssay Description:Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKAMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-P receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 3.10nMAssay Description:Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SPMore data for this Ligand-Target Pair
In DepthDetails Article

TargetNeuromedin-K receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 21nMAssay Description:NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-P receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataIC50: 5.90nMAssay Description:Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SPMore data for this Ligand-Target Pair
In DepthDetails Article

TargetSubstance-P receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSubstance-K receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  1nMAssay Description:Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSubstance-P receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  160nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSubstance-P receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  183nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetNeuromedin-K receptor(Human)
Astrazeneca Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  200nMAssay Description:Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSubstance-K receptor(Bovine)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  207nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSubstance-K receptor(Golden hamster)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  711nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSubstance-K receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  760nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSubstance-P receptor(Rat)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  2.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetNeuromedin-K receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  2.31E+3nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed