BDBM50290120 CHEMBL3747330

SMILES: COc1ccc(CN2CCc3nc(nc(N4CCC(CC4)C(N)=O)c3C2)-c2ccccn2)cc1

InChI Key: InChIKey=BXMLUNFOGYHTLD-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50290120   

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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50290120 (CHEMBL3747330) Show SMILES COc1ccc(CN2CCc3nc(nc(N4CCC(CC4)C(N)=O)c3C2)-c2ccccn2)cc1 Show InChI InChI=1S/C26H30N6O2/c1-34-20-7-5-18(6-8-20)16-31-13-11-22-21(17-31)26(32-14-9-19(10-15-32)24(27)33)30-25(29-22)23-4-2-3-12-28-23/h2-8,12,19H,9-11,13-17H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
Siena Biotech S.p.A. Curated by ChEMBL					Assay Description Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...				J Med Chem 58: 9697-711 (2015) Article DOI: 10.1021/acs.jmedchem.5b00771 BindingDB Entry DOI: 10.7270/Q2VD72FT
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50290120 (CHEMBL3747330) Show SMILES COc1ccc(CN2CCc3nc(nc(N4CCC(CC4)C(N)=O)c3C2)-c2ccccn2)cc1 Show InChI InChI=1S/C26H30N6O2/c1-34-20-7-5-18(6-8-20)16-31-13-11-22-21(17-31)26(32-14-9-19(10-15-32)24(27)33)30-25(29-22)23-4-2-3-12-28-23/h2-8,12,19H,9-11,13-17H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Corrector activity at CFTR F508-del mutant (unknown origin) expressed in human CFBE41o cells harboring HS-YFP preincubated for 24 hrs followed by for...				Eur J Med Chem 144: 179-200 (2018) Article DOI: 10.1016/j.ejmech.2017.12.030 BindingDB Entry DOI: 10.7270/Q20K2C4K
					More data for this Ligand-Target Pair