BDBM50277665 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)benzonitrile::5-(4-cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole::AN-2728::CHEMBL484785::Crisaborole::Eucrisa

SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12

InChI Key InChIKey=USZAGAREISWJDP-UHFFFAOYSA-N

Data  20 IC50

Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50277665   

TargetHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A(Homo sapiens (Human))
Anacor Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 730nMAssay Description:Inhibition of human recombinant PDE7A1 expressed in baculovirus-infected insect Sf9 cells by modified two-step methodMore data for this Ligand-Target Pair
TargetCarbapenem-hydrolyzing beta-lactamase KPC()
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 670nMAssay Description:Inhibition of Klebsiella pneumoniae KPC-2More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 55nMAssay Description:Inhibition of PDE4B1 (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 55nMAssay Description:Inhibition of PDE4B2 (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 55nMAssay Description:Inhibition of PDE4D7 (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4C(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 55nMAssay Description:Inhibition of PDE4C1 (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 55nMAssay Description:Inhibition of PDE4A1A (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 490nMAssay Description:Inhibition of PDE4 (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 57nMAssay Description:Inhibition of PDE4B (unknown origin) assessed as hydrolysis of [3H]-cGMP into [3H]-GMP incubated for 30 mins by scintillation of proximity assayMore data for this Ligand-Target Pair
TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 5.60E+6nMAssay Description:Inhibition of PDE1A (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 1.79E+7nMAssay Description:Inhibition of PDE1B (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 7.10E+7nMAssay Description:Inhibition of PDE1C (unknown origin)More data for this Ligand-Target Pair
TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 3.63E+6nMAssay Description:Inhibition of PDE2A (unknown origin)More data for this Ligand-Target Pair
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 6.40E+7nMAssay Description:Inhibition of PDE3A (unknown origin)More data for this Ligand-Target Pair
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3B(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 5.88E+7nMAssay Description:Inhibition of PDE3B (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 7.00E+4nMAssay Description:Inhibition of PDE4B (unknown origin)More data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 5.61E+7nMAssay Description:Inhibition of PDE5A (unknown origin)More data for this Ligand-Target Pair
TargetHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A(Homo sapiens (Human))
Anacor Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 2.03E+6nMAssay Description:Inhibition of PDE7A (unknown origin)More data for this Ligand-Target Pair
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 9.76E+7nMAssay Description:Inhibition of PDE10A (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50277665(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step methodMore data for this Ligand-Target Pair