Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 448.4 BDBM50529212

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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50529212 (CHEMBL4471453) Show SMILES Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of alpha1 adrenergic receptor (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50529212 (CHEMBL4471453) Show SMILES Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of PBR receptor (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50529212 (CHEMBL4471453) Show SMILES Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of Kv7.2 in human HEK293 cells incubated for 1 hr by thallium flux assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50529212 (CHEMBL4471453) Show SMILES Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12 Show InChI InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Inhibition of ERG in human HEK293 cells incubated for 1 hr by thallium flux assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126681 BindingDB Entry DOI: 10.7270/Q20K2D1N
					More data for this Ligand-Target Pair