null

SMILES: Cn1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12

InChI Key: InChIKey=NKSXAKPRNJHCLU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047086   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50047086 (2-{3-[4-(1-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Cn1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:4| Show InChI InChI=1S/C27H27N3O2S/c1-28-19-23(22-9-2-3-10-24(22)28)20-13-17-29(18-14-20)15-6-16-30-25-11-4-7-21-8-5-12-26(27(21)25)33(30,31)32/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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047086 (2-{3-[4-(1-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Cn1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:4| Show InChI InChI=1S/C27H27N3O2S/c1-28-19-23(22-9-2-3-10-24(22)28)20-13-17-29(18-14-20)15-6-16-30-25-11-4-7-21-8-5-12-26(27(21)25)33(30,31)32/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	0.600	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