Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 663.7 BDBM644844

Wt: 663.7 BDBM644868

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

Found 3 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))	BDBM644844 (Preparation of (14S)-8-(3-{2-hydroxy-3-[1-(trifluo...) Show SMILES CC1(C)C[C@H]2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1cccc(NCCC2)n1)-n1ccc(OCC(O)CC2(CC2)C(F)(F)F)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	<1.00E+3	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))	BDBM644868 (Preparation of (14S)-8-(3-{2-hydroxy-3-[1-(trifluo...) Show SMILES CC1(C)C[C@H]2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1cccc(NCCC2)n1)-n1ccc(OC[C@@H](O)CC2(CC2)C(F)(F)F)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	<1.00E+3	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))	BDBM644868 (Preparation of (14S)-8-(3-{2-hydroxy-3-[1-(trifluo...) Show SMILES CC1(C)C[C@H]2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1cccc(NCCC2)n1)-n1ccc(OC[C@@H](O)CC2(CC2)C(F)(F)F)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair