BDBM50062173 CHEMBL3397082

SMILES: Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1

InChI Key: InChIKey=KOGOWAAONOEWOD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50062173   

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))	BDBM50062173 (CHEMBL3397082) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)| Show InChI InChI=1S/C31H28ClFN4O2/c32-26-8-2-1-7-23(26)29-28-9-3-4-15-36(28)31(39)37(30(29)38)16-6-5-14-35-17-12-21(13-18-35)25-20-34-27-11-10-22(33)19-24(25)27/h1-4,7-12,15,19-20,34H,5-6,13-14,16-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis				Eur J Med Chem 90: 21-32 (2015) Article DOI: 10.1016/j.ejmech.2014.10.069 BindingDB Entry DOI: 10.7270/Q2VQ34CB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50062173 (CHEMBL3397082) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)| Show InChI InChI=1S/C31H28ClFN4O2/c32-26-8-2-1-7-23(26)29-28-9-3-4-15-36(28)31(39)37(30(29)38)16-6-5-14-35-17-12-21(13-18-35)25-20-34-27-11-10-22(33)19-24(25)27/h1-4,7-12,15,19-20,34H,5-6,13-14,16-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay				Eur J Med Chem 90: 21-32 (2015) Article DOI: 10.1016/j.ejmech.2014.10.069 BindingDB Entry DOI: 10.7270/Q2VQ34CB
					More data for this Ligand-Target Pair