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-XIFFEERXSA-N

Data  10 KI  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50175494   

TargetSubstance-P receptor(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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 ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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 ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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)
Hoechst Marion Roussel

Curated by PDSP Ki Database
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(Homo sapiens (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 ArticlePubMed
TargetSubstance-K receptor(Bos taurus)
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(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(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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(Rattus norvegicus (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)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50175494(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Affinity DataKi:  2.31E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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 ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (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 ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (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:Compound was evaluated for the antagonistic activity against H1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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(Mus musculus)
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(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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-P receptor(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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)
Hoechst Marion Roussel

Curated by PDSP Ki Database
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)
Hoechst Marion Roussel

Curated by PDSP Ki Database
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-K receptor(Homo sapiens (Human))
Astrazeneca Pharmaceuticals

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