BDBM50371292 CHEMBL257434

SMILES: CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C1CC1

InChI Key: InChIKey=DGRXLTADUFHHBN-UHFFFAOYSA-N

Data: 3 KI

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 = 50371292   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50371292 (CHEMBL257434) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-25-17-19-16-18(4-11-23(19)29-21-7-9-22(30-2)10-8-21)24(28)27-13-3-12-26(14-15-27)20-5-6-20/h4,7-11,16,20,25H,3,5-6,12-15,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of human histamine H3 receptor				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50371292 (CHEMBL257434) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-25-17-19-16-18(4-11-23(19)29-21-7-9-22(30-2)10-8-21)24(28)27-13-3-12-26(14-15-27)20-5-6-20/h4,7-11,16,20,25H,3,5-6,12-15,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of rat SERT				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371292 (CHEMBL257434) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-25-17-19-16-18(4-11-23(19)29-21-7-9-22(30-2)10-8-21)24(28)27-13-3-12-26(14-15-27)20-5-6-20/h4,7-11,16,20,25H,3,5-6,12-15,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of human SERT				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair