BDBM50118268 5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol::CHEMBL132954

SMILES: COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1

InChI Key: InChIKey=YPRKQXGDPALXAP-UHFFFAOYSA-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 = 50118268   

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 dopamine transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.73	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in HEK cells expressing human serotonin transporter (hSERT)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in HEK cells expressing human dopamine transporter (hDAT)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118268 (5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...) Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67.1	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine Transporter of guinea pig striatal membrane				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair