BDBM50490620 CHEMBL2338054

SMILES: [H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1

InChI Key: InChIKey=DNTVXLSMTRVFMZ-MBSDFSHPSA-N

Data: 1 KI  2 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 = 50490620   

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))	BDBM50490620 (CHEMBL2338054) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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
Monoamine transporter (Homo sapiens (Human))	BDBM50490620 (CHEMBL2338054) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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))	BDBM50490620 (CHEMBL2338054) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	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