BDBM50304391 (cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one::CHEMBL440878::cis-(+/-)-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one::cis-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2Hphthalazin-1-one

SMILES: COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12

InChI Key: InChIKey=MRBFFQVXMIGKST-NWDGAFQWSA-N

Data: 3 KI  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 10 hits for monomerid = 50304391   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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]RTI-55 from human recombinant SERT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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]RTI-55 from human recombinant NET expressed in HEK293 cells by scintillation counting				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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]RTI-55 from human recombinant DAT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 reuptake at human SERT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	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
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibition of PDE4 in the cytosol of human neutrophils				J Med Chem 44: 2511-22 (2001) Article DOI: 10.1021/jm010837k BindingDB Entry DOI: 10.7270/Q27D2XWH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 reuptake at human DAT expressed in HEK293 cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 reuptake at human NET expressed in HEK cells				Bioorg Med Chem 17: 6890-7 (2009) Article DOI: 10.1016/j.bmc.2009.08.025 BindingDB Entry DOI: 10.7270/Q2X34ZC2
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 601-8550 Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis				Bioorg Med Chem 17: 6959-70 (2009) Article DOI: 10.1016/j.bmc.2009.08.014 BindingDB Entry DOI: 10.7270/Q2WH2Q26
					More data for this Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1) (Trypanosoma brucei)	BDBM50304391 ((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...) Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t11-,12+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair