BDBM196458 US10202344, Compound 57::US9212139, 57

SMILES: N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12

InChI Key: InChIKey=BJUPZCUEGUWQFK-IBGZPJMESA-N

Data: 2 KI  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 4 hits for monomerid = 196458   

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 channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM196458 (US10202344, Compound 57 | US9212139, 57) Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12 Show InChI InChI=1S/C24H21N3O2/c25-14-17-4-3-5-22(12-17)29-21-10-8-20(9-11-21)27-15-18(13-19(26)16-28)23-6-1-2-7-24(23)27/h1-12,15,19,28H,13,16,26H2/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay Description For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...				US Patent US9212139 (2015) BindingDB Entry DOI: 10.7270/Q26Q1W19
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM196458 (US10202344, Compound 57 | US9212139, 57) Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12 Show InChI InChI=1S/C24H21N3O2/c25-14-17-4-3-5-22(12-17)29-21-10-8-20(9-11-21)27-15-18(13-19(26)16-28)23-6-1-2-7-24(23)27/h1-12,15,19,28H,13,16,26H2/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...				US Patent US10202344 (2019) BindingDB Entry DOI: 10.7270/Q2X350KJ
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM196458 (US10202344, Compound 57 | US9212139, 57) Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12 Show InChI InChI=1S/C24H21N3O2/c25-14-17-4-3-5-22(12-17)29-21-10-8-20(9-11-21)27-15-18(13-19(26)16-28)23-6-1-2-7-24(23)27/h1-12,15,19,28H,13,16,26H2/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...				US Patent US10202344 (2019) BindingDB Entry DOI: 10.7270/Q2X350KJ
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM196458 (US10202344, Compound 57 | US9212139, 57) Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3cccc(c3)C#N)cc2)c2ccccc12 Show InChI InChI=1S/C24H21N3O2/c25-14-17-4-3-5-22(12-17)29-21-10-8-20(9-11-21)27-15-18(13-19(26)16-28)23-6-1-2-7-24(23)27/h1-12,15,19,28H,13,16,26H2/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	383	n/a	n/a	n/a	n/a	7.3	n/a
Purdue Pharma, L.P. US Patent					Assay Description Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...				US Patent US9212139 (2015) BindingDB Entry DOI: 10.7270/Q26Q1W19
					More data for this Ligand-Target Pair