BDBM50400893 CHEMBL2205053

SMILES: Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl

InChI Key: InChIKey=NLWMJOOAJCUQKB-UHFFFAOYSA-N

Data: 2 KI  1 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 = 50400893   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400893 (CHEMBL2205053) Show SMILES Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl Show InChI InChI=1S/C16H16Cl2N2S/c17-13-6-5-12(11-14(13)18)21-16-4-2-1-3-15(16)20-9-7-19-8-10-20/h1-6,11,19H,7-10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400893 (CHEMBL2205053) Show SMILES Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl Show InChI InChI=1S/C16H16Cl2N2S/c17-13-6-5-12(11-14(13)18)21-16-4-2-1-3-15(16)20-9-7-19-8-10-20/h1-6,11,19H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50400893 (CHEMBL2205053) Show SMILES Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl Show InChI InChI=1S/C16H16Cl2N2S/c17-13-6-5-12(11-14(13)18)21-16-4-2-1-3-15(16)20-9-7-19-8-10-20/h1-6,11,19H,7-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair