BDBM50047090 3-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]isothiazol-2-yl)-propyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-indol-5-ol::CHEMBL19652

SMILES: Oc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1

InChI Key: InChIKey=PXLJHRMPQADPTF-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50047090   

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 serotonin transporter (Rattus norvegicus (rat))	BDBM50047090 (3-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...) Show SMILES Oc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H25N3O3S/c30-20-8-9-23-21(16-20)22(17-27-23)18-10-14-28(15-11-18)12-3-13-29-24-6-1-4-19-5-2-7-25(26(19)24)33(29,31)32/h1-2,4-10,16-17,27,30H,3,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50047090 (3-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...) Show SMILES Oc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H25N3O3S/c30-20-8-9-23-21(16-20)22(17-27-23)18-10-14-28(15-11-18)12-3-13-29-24-6-1-4-19-5-2-7-25(26(19)24)33(29,31)32/h1-2,4-10,16-17,27,30H,3,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]-spiperone in rat striatal membranes				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair