BDBM50490637 CHEMBL2338049

SMILES: [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1

InChI Key: InChIKey=DPINDTNFGDXWLU-MLGOLLRUSA-N

Data: 1 KI  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 4 hits for monomerid = 50490637   

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))	BDBM50490637 (CHEMBL2338049) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50490637 (CHEMBL2338049) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 by luminescence assay				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50490637 (CHEMBL2338049) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50490637 (CHEMBL2338049) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair