BDBM50371288 CHEMBL272698

SMILES: CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1

InChI Key: InChIKey=KTXYACXXINQJMM-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 = 50371288   

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))	BDBM50371288 (CHEMBL272698) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3	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))	BDBM50371288 (CHEMBL272698) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	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 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))	BDBM50371288 (CHEMBL272698) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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