BDBM50206755 CHEMBL3940484

SMILES: COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1

InChI Key: InChIKey=JZMJEIJWBRTMLR-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 = 50206755   

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))	BDBM50206755 (CHEMBL3940484) Show SMILES COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1 Show InChI InChI=1S/C22H28BrNO2/c1-25-20-5-3-17(4-6-20)9-12-24-13-10-18(11-14-24)15-19-16-21(26-2)7-8-22(19)23/h3-8,16,18H,9-15H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50206755 (CHEMBL3940484) Show SMILES COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1 Show InChI InChI=1S/C22H28BrNO2/c1-25-20-5-3-17(4-6-20)9-12-24-13-10-18(11-14-24)15-19-16-21(26-2)7-8-22(19)23/h3-8,16,18H,9-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair