BDBM50432301 CHEMBL2347852

SMILES: FC(F)(F)c1cc(COC[C@@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=QLXHEEVESGWCHN-FQEVSTJZSA-N

Data: 2 IC50

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 = 50432301   

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 (Homo sapiens (Human))	BDBM50432301 (CHEMBL2347852) Show SMILES FC(F)(F)c1cc(COC[C@@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-30-15-20(7-4-9-29-10-8-20)17-5-2-1-3-6-17/h1-3,5-6,11-13,29H,4,7-10,14-15H2/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50432301 (CHEMBL2347852) Show SMILES FC(F)(F)c1cc(COC[C@@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-30-15-20(7-4-9-29-10-8-20)17-5-2-1-3-6-17/h1-3,5-6,11-13,29H,4,7-10,14-15H2/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair