BDBM30126 CHEMBL313041::phthalazinone, 19

SMILES: COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12

InChI Key: InChIKey=MRBFFQVXMIGKST-UHFFFAOYSA-N

Data: 9 KI  5 IC50  3 EC50

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 14 hits for monomerid = 30126   

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 4D (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	-11.5	n/a	n/a	n/a	n/a	n/a	8.0	34
Human BioMolecular Research Institute					Assay Description The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	-9.27	n/a	n/a	n/a	n/a	n/a	8.0	34
Human BioMolecular Research Institute					Assay Description The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	>-8.43	n/a	n/a	n/a	n/a	n/a	8.0	34
Human BioMolecular Research Institute					Assay Description The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute					Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-5.40	n/a	n/a	>1.00E+5	n/a	n/a	7.4	22
Human BioMolecular Research Institute					Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-5.40	n/a	n/a	>1.00E+5	n/a	n/a	7.4	22
Human BioMolecular Research Institute					Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...				J Med Chem 52: 1530-9 (2009) Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of PDE4D2 by rapid fluorescence based assay				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase 4 carried out in the cytosol of human neutrophils				J Med Chem 45: 2526-33 (2002) Article DOI: 10.1021/jm0110338 BindingDB Entry DOI: 10.7270/Q24F1TFG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30126 (CHEMBL313041 | phthalazinone, 19) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair