Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.2 BDBM297397

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM297397 (US10117858, Example 10 | US10117858, Example 9 | U...) Show SMILES CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(cc1N)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H13Cl2F6N3O2/c1-15(30,17(23,24)25)6-27-14(29)13-11(26)5-9(16(20,21)22)12(28-13)8-3-2-7(18)4-10(8)19/h2-5,30H,6,26H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...				US Patent US10117858 (2018) BindingDB Entry DOI: 10.7270/Q2W0980D
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator [1-507,509-1480] (Homo sapiens (Human))	BDBM297397 (US10117858, Example 10 | US10117858, Example 9 | U...) Show SMILES CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(cc1N)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H13Cl2F6N3O2/c1-15(30,17(23,24)25)6-27-14(29)13-11(26)5-9(16(20,21)22)12(28-13)8-3-2-7(18)4-10(8)19/h2-5,30H,6,26H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator [1-507,509-1480] (Homo sapiens (Human))	BDBM297397 (US10117858, Example 10 | US10117858, Example 9 | U...) Show SMILES CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(cc1N)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H13Cl2F6N3O2/c1-15(30,17(23,24)25)6-27-14(29)13-11(26)5-9(16(20,21)22)12(28-13)8-3-2-7(18)4-10(8)19/h2-5,30H,6,26H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM297397 (US10117858, Example 10 | US10117858, Example 9 | U...) Show SMILES CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(cc1N)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H13Cl2F6N3O2/c1-15(30,17(23,24)25)6-27-14(29)13-11(26)5-9(16(20,21)22)12(28-13)8-3-2-7(18)4-10(8)19/h2-5,30H,6,26H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...				US Patent US10117858 (2018) BindingDB Entry DOI: 10.7270/Q2W0980D
					More data for this Ligand-Target Pair