BDBM497386 US11007200, Example 3a

SMILES: CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl

InChI Key: InChIKey=OKBJBWKATFFGNY-VXKWHMMOSA-N

Data: 2 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 497386   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM497386 (US11007200, Example 3a) Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl Show InChI InChI=1S/C22H28ClFN2/c1-25-22(19-8-2-3-9-20(19)23)15-5-4-10-21(22)26-16-6-7-17-11-13-18(24)14-12-17/h2-3,8-9,11-14,21,25-26H,4-7,10,15-16H2,1H3/t21-,22-/m0/s1	UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MediSynergics, LLC US Patent									US Patent US11007200 (2021)
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM497386 (US11007200, Example 3a) Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl Show InChI InChI=1S/C22H28ClFN2/c1-25-22(19-8-2-3-9-20(19)23)15-5-4-10-21(22)26-16-6-7-17-11-13-18(24)14-12-17/h2-3,8-9,11-14,21,25-26H,4-7,10,15-16H2,1H3/t21-,22-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	35.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MediSynergics, LLC US Patent					Assay Description Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...				US Patent US11007200 (2021)
					More data for this Ligand-Target Pair