BDBM50264212 CHEMBL519042::N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3-(piperidin-1-ylcarbonyl)isonicotinamide 1-oxide

SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1

InChI Key InChIKey=SBJLPUIBYIEHFY-CLJLJLNGSA-N

Data  9 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50264212   

TargetProbable C-C chemokine receptor type 3(Mus musculus)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of mouse CCR3More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 23nMAssay Description:Antagonist activity at human CCR3 expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium fluxMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of human CYP2D6 by fluorescence technique in presence of NADPMore data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 23nMAssay Description:Antagonist activity at CCR3 receptor expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium influx by spectrophotometryMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50264212(CHEMBL519042 | N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)...)
Show SMILES [O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)/t25-,26-/m1/s1
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair