BDBM50254829 4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propylamino)pentyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one::CHEMBL454507

SMILES: COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12

InChI Key: InChIKey=QXJNTMSGRQZRFO-PDZHLSQESA-N

Data: 3 KI  4 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 = 50254829   

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))	BDBM50254829 (4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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 dopamine transporter (Homo sapiens (Human))	BDBM50254829 (4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.72E+3	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))	BDBM50254829 (4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50254829 (4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1	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	253	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 dopamine transporter (Homo sapiens (Human))	BDBM50254829 (4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.98E+3	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50254829 (4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50254829 (4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.55E+3	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