Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'fuentes-catanio' and Initial = 'hg'   

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
Hexokinase-4 (Homo sapiens (Human))	BDBM50585812 (CHEMBL5091943) Show SMILES CCOP(=O)(Cc1csc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled derivative from recombinant human hepatic glucokinase incubated for 30 mins in presence of 12 mM glucose by fluor...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled derivative from recombinant human hepatic glucokinase incubated for 30 mins in presence of 12 mM glucose by fluor...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585829 (CHEMBL5092846) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)C(C)C)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585830 (CHEMBL5072442) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585823 (CHEMBL5081517) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(CF)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585812 (CHEMBL5091943) Show SMILES CCOP(=O)(Cc1csc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-gp transporter (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585833 (CHEMBL5094606) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(nc3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585834 (CHEMBL5077438) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585835 (CHEMBL5079866) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(N)=O)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585836 (CHEMBL5082691) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)NC)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585837 (CHEMBL5080166) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N(C)C)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585832 (CHEMBL5087489) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585831 (CHEMBL5076377) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nc3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585827 (CHEMBL5088522) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585826 (CHEMBL5085491) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(nc3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585825 (CHEMBL5086686) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nn3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585824 (CHEMBL5084870) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nc3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585822 (CHEMBL5083369) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585821 (CHEMBL5093978) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585820 (CHEMBL5093208) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](CC)CO)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585819 (CHEMBL5088988) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)CO)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585818 (CHEMBL5080889) Show SMILES COC[C@H](C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1ccn(CP(C)(C)=O)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585817 (CHEMBL5075882) Show SMILES CCO[P@](C)(=O)Cn1ccc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585816 (CHEMBL5086985) Show SMILES CCOP(=O)(Cc1cnc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)cn1)OCC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585814 (CHEMBL5071861) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585821 (CHEMBL5093978) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585822 (CHEMBL5083369) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	87	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585823 (CHEMBL5081517) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(CF)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585824 (CHEMBL5084870) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nc3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585825 (CHEMBL5086686) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nn3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585826 (CHEMBL5085491) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(nc3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	234	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585827 (CHEMBL5088522) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)S(C)(=O)=O)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	159	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585828 (CHEMBL5076695) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)CC)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585829 (CHEMBL5092846) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)C(C)C)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585830 (CHEMBL5072442) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585831 (CHEMBL5076377) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nc3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585832 (CHEMBL5087489) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	188	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50585833 (CHEMBL5094606) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(nc3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	61	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585834 (CHEMBL5077438) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50585835 (CHEMBL5079866) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(N)=O)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	656	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair

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