BDBM50240404 (Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one::1-(2-isopropylH-pyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one::CHEMBL19449::IBUDILAST

SMILES: CC(C)C(=O)c1c(nn2ccccc12)C(C)C

InChI Key: InChIKey=ZJVFLBOZORBYFE-UHFFFAOYSA-N

Data: 8 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 9 hits for monomerid = 50240404   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci				J Med Chem 54: 3331-47 (2011) Article DOI: 10.1021/jm200070e BindingDB Entry DOI: 10.7270/Q2CF9R75
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay				J Med Chem 54: 3331-47 (2011) Article DOI: 10.1021/jm200070e BindingDB Entry DOI: 10.7270/Q2CF9R75
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Matrix Laboratories Limited Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 51: 5471-89 (2008) Article DOI: 10.1021/jm800582j BindingDB Entry DOI: 10.7270/Q2GQ6ZNK
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Matrix Laboratories Limited Curated by ChEMBL					Assay Description Inhibition of human PDE4A				J Med Chem 51: 5471-89 (2008) Article DOI: 10.1021/jm800582j BindingDB Entry DOI: 10.7270/Q2GQ6ZNK
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Matrix Laboratories Limited Curated by ChEMBL					Assay Description Inhibition of human PDE4B				J Med Chem 51: 5471-89 (2008) Article DOI: 10.1021/jm800582j BindingDB Entry DOI: 10.7270/Q2GQ6ZNK
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1 (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	239	n/a	n/a	n/a	n/a	n/a	n/a
Matrix Laboratories Limited Curated by ChEMBL					Assay Description Inhibition of human PDE4C				J Med Chem 51: 5471-89 (2008) Article DOI: 10.1021/jm800582j BindingDB Entry DOI: 10.7270/Q2GQ6ZNK
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50240404 ((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...) Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	2.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair