BDBM50395399 CHEMBL2165063

SMILES: COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1

InChI Key: InChIKey=VQECILSOQQFMKP-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 50395399   

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
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel HCN4 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel Cav3.2 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Calcium channel (Type L) (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel Cav1.2 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel Nav1.5 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel Kv1.5 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
KCNQ (Kv7) potassium channel (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel IKs (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by cell-based patch clamp method				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Voltage-gated potassium channel (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel Kv4.3 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair