BDBM50427967 CHEMBL2325212

SMILES: C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=RTXUCZCQTDIGRM-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 Kd

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 4 hits for monomerid = 50427967   

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 voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427967 (CHEMBL2325212) Show SMILES C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H24N/c1-35-33(25-19-27-15-21-31(22-16-27)29-9-4-2-5-10-29)13-8-14-34(35)26-20-28-17-23-32(24-18-28)30-11-6-3-7-12-30/h2-18,21-24H,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay				J Med Chem 58: 5916-29 (2015) Article DOI: 10.1021/acs.jmedchem.5b00518 BindingDB Entry DOI: 10.7270/Q2FX7C6V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427967 (CHEMBL2325212) Show SMILES C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H24N/c1-35-33(25-19-27-15-21-31(22-16-27)29-9-4-2-5-10-29)13-8-14-34(35)26-20-28-17-23-32(24-18-28)30-11-6-3-7-12-30/h2-18,21-24H,1H3/q+1	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	294	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG K+ channel expressed in HEK293 cells by scintillation spectrophotometric analysis				J Med Chem 56: 2828-40 (2013) Article DOI: 10.1021/jm301564f BindingDB Entry DOI: 10.7270/Q22V2HG3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427967 (CHEMBL2325212) Show SMILES C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H24N/c1-35-33(25-19-27-15-21-31(22-16-27)29-9-4-2-5-10-29)13-8-14-34(35)26-20-28-17-23-32(24-18-28)30-11-6-3-7-12-30/h2-18,21-24H,1H3/q+1	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	n/a	132	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...				J Med Chem 58: 5916-29 (2015) Article DOI: 10.1021/acs.jmedchem.5b00518 BindingDB Entry DOI: 10.7270/Q2FX7C6V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427967 (CHEMBL2325212) Show SMILES C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H24N/c1-35-33(25-19-27-15-21-31(22-16-27)29-9-4-2-5-10-29)13-8-14-34(35)26-20-28-17-23-32(24-18-28)30-11-6-3-7-12-30/h2-18,21-24H,1H3/q+1	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	107	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of human Kv11.1 expressed in HEK293 cells assessed as inhibition of channel tail current at holding potential -80 mV by whole cell voltage...				J Med Chem 58: 5916-29 (2015) Article DOI: 10.1021/acs.jmedchem.5b00518 BindingDB Entry DOI: 10.7270/Q2FX7C6V
					More data for this Ligand-Target Pair