BDBM50055014 7-(3,4-Dichloro-phenyl)-2,4,5,7-tetrahydro-3H-[1,3]diazepino[2,1-a]isoindol-7-ol::CHEMBL337510

SMILES: OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JDGHEGQYEARKKK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50055014   

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 (Rattus norvegicus (rat))	BDBM50055014 (7-(3,4-Dichloro-phenyl)-2,4,5,7-tetrahydro-3H-[1,3...) Show SMILES OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)c(Cl)c1 |c:7| Show InChI InChI=1S/C18H16Cl2N2O/c19-15-8-7-12(11-16(15)20)18(23)14-6-2-1-5-13(14)17-21-9-3-4-10-22(17)18/h1-2,5-8,11,23H,3-4,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake at the dopamine transporter in rat striatal tissue				J Med Chem 39: 4935-41 (1997) Article DOI: 10.1021/jm960288w BindingDB Entry DOI: 10.7270/Q2ZK5FSR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055014 (7-(3,4-Dichloro-phenyl)-2,4,5,7-tetrahydro-3H-[1,3...) Show SMILES OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)c(Cl)c1 |c:7| Show InChI InChI=1S/C18H16Cl2N2O/c19-15-8-7-12(11-16(15)20)18(23)14-6-2-1-5-13(14)17-21-9-3-4-10-22(17)18/h1-2,5-8,11,23H,3-4,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program/NIH Curated by ChEMBL					Assay Description Ability to displace [3H]-WIN-35,428 from dopamine transporter in rat caudate putamen tissue				J Med Chem 45: 4119-27 (2002) BindingDB Entry DOI: 10.7270/Q21Z43R6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055014 (7-(3,4-Dichloro-phenyl)-2,4,5,7-tetrahydro-3H-[1,3...) Show SMILES OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)c(Cl)c1 |c:7| Show InChI InChI=1S/C18H16Cl2N2O/c19-15-8-7-12(11-16(15)20)18(23)14-6-2-1-5-13(14)17-21-9-3-4-10-22(17)18/h1-2,5-8,11,23H,3-4,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [3H]-WIN- 35,428 binding to the dopamine transporter in rat brain				J Med Chem 39: 4935-41 (1997) Article DOI: 10.1021/jm960288w BindingDB Entry DOI: 10.7270/Q2ZK5FSR
					More data for this Ligand-Target Pair