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SMILES: Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)N2CCCC2)cc1Cl

InChI Key: InChIKey=QXICVFZJBZMHHM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 271343   

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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM271343 (US10064853, Compound 18) Show SMILES Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)N2CCCC2)cc1Cl Show InChI InChI=1S/C25H31ClN2O3/c26-22-18-20(8-9-23(22)29)19-27-15-10-25(11-16-27,24(30)28-13-4-5-14-28)12-17-31-21-6-2-1-3-7-21/h1-3,6-9,18,29H,4-5,10-17,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc. US Patent					Assay Description Insulin reductase assay.				US Patent US10064853 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C0V
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM271343 (US10064853, Compound 18) Show SMILES Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)N2CCCC2)cc1Cl Show InChI InChI=1S/C25H31ClN2O3/c26-22-18-20(8-9-23(22)29)19-27-15-10-25(11-16-27,24(30)28-13-4-5-14-28)12-17-31-21-6-2-1-3-7-21/h1-3,6-9,18,29H,4-5,10-17,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc. US Patent					Assay Description Insulin reductase assay.				US Patent US10064853 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C0V
					More data for this Ligand-Target Pair