BDBM50194556 CHEMBL221445::N'-[3-(4-tert-butyl-piperazin-1-ylmethyl)-8-fluoro-2-phenyl-quinoline-4-carbonyl]-N-phenyl-hydrazinecarboxylic acid methyl ester

SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1

InChI Key InChIKey=KQNYTTDHCMFOME-UHFFFAOYSA-N

Data  1 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50194556   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194556(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Affinity DataKi: >9.00E+3nMAssay Description:Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSubstance-P receptor(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194556(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of human NK1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194556(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP4502D6 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194556(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP4502C9 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeuromedin-K receptor(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194556(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Affinity DataIC50:  3nMAssay Description:Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194556(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP4503A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeuromedin-K receptor(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194556(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Affinity DataIC50:  4nMAssay Description:Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSubstance-K receptor(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194556(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Affinity DataIC50:  50nMAssay Description:Inhibition of human NK2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed