BDBM50432299 CHEMBL2347854

SMILES: CN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1

InChI Key: InChIKey=WOJBHNJZTIILBM-NRFANRHFSA-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 = 50432299   

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))	BDBM50432299 (CHEMBL2347854) Show SMILES CN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-5-8-21(9-11-30,18-6-3-2-4-7-18)16-31-15-17-12-19(22(24,25)26)14-20(13-17)23(27,28)29/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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))	BDBM50432299 (CHEMBL2347854) Show SMILES CN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-5-8-21(9-11-30,18-6-3-2-4-7-18)16-31-15-17-12-19(22(24,25)26)14-20(13-17)23(27,28)29/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3/t21-/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	2.60	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