BDBM50047087 1-(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}-indol-1-yl)-ethanone::CHEMBL279414

SMILES: CC(=O)n1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12

InChI Key: InChIKey=BAWIYSVYEJNRCP-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 = 50047087   

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))	BDBM50047087 (1-(3-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd...) Show SMILES CC(=O)n1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:6| Show InChI InChI=1S/C28H27N3O3S/c1-20(32)30-19-24(23-9-2-3-10-25(23)30)21-13-17-29(18-14-21)15-6-16-31-26-11-4-7-22-8-5-12-27(28(22)26)35(31,33)34/h2-5,7-13,19H,6,14-18H2,1H3	PDB 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 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))	BDBM50047087 (1-(3-{1-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd...) Show SMILES CC(=O)n1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:6| Show InChI InChI=1S/C28H27N3O3S/c1-20(32)30-19-24(23-9-2-3-10-25(23)30)21-13-17-29(18-14-21)15-6-16-31-26-11-4-7-22-8-5-12-27(28(22)26)35(31,33)34/h2-5,7-13,19H,6,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>100	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