BDBM520995 (+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]quinolin-4-yl}carbonyl)amino]-4-(2-chlorophenyl)pentanoic acid (Enantiomer 1)::US11149018, Example 275

SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1

InChI Key InChIKey=YQOLEILXOBUDMU-KRWDZBQOSA-N

Data  1 KI  20 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 21 hits for monomerid = 520995   

TargetProstaglandin F2-alpha receptor(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]PGF2alpha from full-length recombinant human FP receptor expressed in HEK293 cell membranes measured after 60 mins by scintillati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThromboxane A2 receptor(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50:  2.20E+3nMAssay Description:Antagonist activity at recombinant full-length human TP receptor expressed in HEK293 cells assessed as inhibition of U-44069-induced response measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 15 mins in presence of NADPH generating system by LC-MS/MS...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate incubated for 15 mins in presence of NADPH generating system by LC-MS/M...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 mins in presence of NADPH generating system by LC-MS/MS...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstacyclin receptor(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [3H]PGD2 from full-length recombinant human IP receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH generating system by LC-MS/MS ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [3H]PGD2 from full-length recombinant human DP1 receptor expressed in Chem-1 cell membranes measured after 120 mins by scintillation ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >9.40E+3nMAssay Description:Displacement of [3H]prostaglandin E2 from full-length recombinant human EP4 receptor expressed in HEK293 cell membranes measured after 120 mins by sc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [3H]prostaglandin E2 from full-length recombinant human EP3 receptor expressed in HEK293 cell membranes measured after 120 mins by sc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [3H]prostaglandin E2 from full-length recombinant human EP2 receptor expressed in HEK293 cell membranes measured after 120 mins by sc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [3H]prostaglandin E2 from full-length recombinant human EP1 receptor expressed in HEK293 cell membranes measured after 60 mins by sci...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin F2-alpha receptor(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50:  22nMAssay Description:Displacement of [3H]PGF2alpha from full-length recombinant human FP receptor expressed in HEK293 cell membranes measured after 60 mins by scintillati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin F2-alpha receptor(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at human FPR expressed in human Chem-1 cells assessed as inhibition of PGF2alpha-induced calcium flux preincubated for 10 mins fo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin F2-alpha receptor(Rattus norvegicus)
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at rat FPR stably expressed in CHO cells assessed as inhibition of PGF2alpha-induced calcium flux preincubated for 10 mins follow...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin F2-alpha receptor(Rattus norvegicus)
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50:  52nMAssay Description:Antagonist activity at FPR in Wistar rat assessed as inhibition of PGF2alpha-induced uterus contractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin F2-alpha receptor(MOUSE)
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50:  12nMAssay Description:Antagonist activity at FPR in mouse NIH3T3 cells assessed as inhibition of PGF2alpha-induced cytokine induced neutrophil attracting chemokine product...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin F2-alpha receptor(MOUSE)
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50:  18nMAssay Description:Antagonist activity at FPR in mouse NIH3T3 cells assessed as inhibition of PGF2alpha-induced MCP1 production measured after 24 hrs by Bio-Rad assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [3H]PGD2 from full-length recombinant human CRTH2 receptor expressed in CHOK1 cell membranes measured after 120 mins by scintillation...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin F2-alpha receptor(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50:  15nMAssay Description:For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM520995((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH generating system by LC...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed