Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 648.6 BDBM644681

Wt: 648.6 BDBM644690

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))	BDBM644681 (Preparation of 12,12-dimethyl-8-(3-{2-[1-(trifluor...) Show SMILES CC1(C)CC2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1ccc(OCCCC2)nc1)-n1ccc(OCCC2(CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	>3.00E+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))	BDBM644690 (US11866450, Compound 103 | US11866450, Compound 10...) Show SMILES CC1(C)C[C@@H]2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1ccc(OCCCC2)nc1)-n1ccc(OCCC2(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	>3.00E+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))	BDBM644690 (US11866450, Compound 103 | US11866450, Compound 10...) Show SMILES CC1(C)C[C@@H]2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1ccc(OCCCC2)nc1)-n1ccc(OCCC2(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