BindingDB PrimarySearch

null

SMILES: Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=RMEDXOLNCUSCGS-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50017705
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
TCG Lifesciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG				Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W
TCG Lifesciences Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
TBA					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Mol Pharmacol 12: 800-12 (1976) BindingDB Entry DOI: 10.7270/Q22B8WH6
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(1A) dopamine receptor (BOVINE)	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									J Neuropsychiatry Clin Neurosci 8: 223-6 (1996) Article DOI: 10.1176/jnp.8.2.223 BindingDB Entry DOI: 10.7270/Q27S7M9V
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									J Neuropsychiatry Clin Neurosci 8: 223-6 (1996) Article DOI: 10.1176/jnp.8.2.223 BindingDB Entry DOI: 10.7270/Q27S7M9V
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Mol Psychiatry 3: 123-34 (1998) Article DOI: 10.1038/sj.mp.4000336 BindingDB Entry DOI: 10.7270/Q2G15ZCQ
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Mol Psychiatry 3: 123-34 (1998) Article DOI: 10.1038/sj.mp.4000336 BindingDB Entry DOI: 10.7270/Q2G15ZCQ
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd Curated by ChEMBL					Assay Description Inhibition of human Potassium channel HERG expressed in mammalian cells				Bioorg Med Chem Lett 13: 2773-5 (2003) BindingDB Entry DOI: 10.7270/Q2QZ2BGZ
Gedeon Richter Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	32.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1				J Med Chem 45: 3844-53 (2002) BindingDB Entry DOI: 10.7270/Q2NC61X3
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...				J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) in open state				Bioorg Med Chem Lett 15: 1737-41 (2005) Article DOI: 10.1016/j.bmcl.2005.01.008 BindingDB Entry DOI: 10.7270/Q2FT8NCR
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
CASMedChem Laboratory Curated by ChEMBL					Assay Description Inhibition of human ERG in MCF7 cells				Eur J Med Chem 44: 1926-32 (2009) Article DOI: 10.1016/j.ejmech.2008.11.009 BindingDB Entry DOI: 10.7270/Q2TM7CCD
CASMedChem Laboratory Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
Reverse proteomics research institute Curated by ChEMBL					Assay Description Inhibitory concentration against potassium channel HERG				Bioorg Med Chem Lett 15: 2886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.03.080 BindingDB Entry DOI: 10.7270/Q29S1S7C
Reverse proteomics research institute Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique				Bioorg Med Chem 16: 6252-60 (2008) Article DOI: 10.1016/j.bmc.2008.04.028 BindingDB Entry DOI: 10.7270/Q25D8T25
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human ERG channel in HEK293 cells by voltage-clamp method				Eur J Med Chem 43: 2479-88 (2008) Article DOI: 10.1016/j.ejmech.2007.12.025 BindingDB Entry DOI: 10.7270/Q2542PTB
Universit£ di Pisa Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
ChanTest Corporation Curated by ChEMBL					Assay Description Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits				Sci Rep 3: (2013) Article DOI: 10.1038/srep02100 BindingDB Entry DOI: 10.7270/Q2RB77K2
ChanTest Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (BOVINE)	BDBM50017705 (1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Mol Pharmacol 12: 800-12 (1976) BindingDB Entry DOI: 10.7270/Q22B8WH6
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair