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: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50277665   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50277665 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE7A1 expressed in baculovirus-infected insect Sf9 cells by modified two-step method				Bioorg Med Chem Lett 19: 2129-32 (2009) Article DOI: 10.1016/j.bmcl.2009.03.007 BindingDB Entry DOI: 10.7270/Q2D79B9B
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM50277665 (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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method				Bioorg Med Chem Lett 19: 2129-32 (2009) Article DOI: 10.1016/j.bmcl.2009.03.007 BindingDB Entry DOI: 10.7270/Q2D79B9B
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50277665 (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	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE4B1 (unknown origin)				J Med Chem 61: 10375-10384 (2018) Article DOI: 10.1021/acs.jmedchem.8b00407 BindingDB Entry DOI: 10.7270/Q2QV3Q7Q
					More data for this Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5) (Homo sapiens (Human))	BDBM50277665 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE4A1A (unknown origin)				J Med Chem 61: 10375-10384 (2018) Article DOI: 10.1021/acs.jmedchem.8b00407 BindingDB Entry DOI: 10.7270/Q2QV3Q7Q
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50277665 (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	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE4D7 (unknown origin)				J Med Chem 61: 10375-10384 (2018) Article DOI: 10.1021/acs.jmedchem.8b00407 BindingDB Entry DOI: 10.7270/Q2QV3Q7Q
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1 (Homo sapiens (Human))	BDBM50277665 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE4C1 (unknown origin)				J Med Chem 61: 10375-10384 (2018) Article DOI: 10.1021/acs.jmedchem.8b00407 BindingDB Entry DOI: 10.7270/Q2QV3Q7Q
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50277665 (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	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE4B2 (unknown origin)				J Med Chem 61: 10375-10384 (2018) Article DOI: 10.1021/acs.jmedchem.8b00407 BindingDB Entry DOI: 10.7270/Q2QV3Q7Q
					More data for this Ligand-Target Pair