BDBM50459933 CHEMBL4226242

SMILES: CN1CC(c2ccc(Cl)c(Cl)c2)c2cccc(N)c2C1

InChI Key: InChIKey=IRZHQDDIUQJKJQ-UHFFFAOYSA-N

Data: 3 KI

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 = 50459933   

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
Monoamine transporter (Homo sapiens (Human))	BDBM50459933 (CHEMBL4226242) Show SMILES CN1CC(c2ccc(Cl)c(Cl)c2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to NET (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50459933 (CHEMBL4226242) Show SMILES CN1CC(c2ccc(Cl)c(Cl)c2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to SERT (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50459933 (CHEMBL4226242) Show SMILES CN1CC(c2ccc(Cl)c(Cl)c2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to DAT (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair