BDBM50062235 CHEMBL3397094

SMILES: COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O

InChI Key: InChIKey=QKYGOOPYFRJSMB-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 = 50062235   

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 (Rattus norvegicus (rat))	BDBM50062235 (CHEMBL3397094) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:27| Show InChI InChI=1S/C32H31BrN4O3/c1-40-25-10-7-23(8-11-25)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-22(14-19-35)27-21-34-28-12-9-24(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50062235 (CHEMBL3397094) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:27| Show InChI InChI=1S/C32H31BrN4O3/c1-40-25-10-7-23(8-11-25)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-22(14-19-35)27-21-34-28-12-9-24(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	327	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