Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'ruano' and Initial = 'd'   

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
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla, Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 989-97 (1999) BindingDB Entry DOI: 10.7270/Q280515N
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla, Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 989-97 (1999) BindingDB Entry DOI: 10.7270/Q280515N
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla, Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 989-97 (1999) BindingDB Entry DOI: 10.7270/Q280515N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (RAT)	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla, Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 989-97 (1999) BindingDB Entry DOI: 10.7270/Q280515N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla, Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 989-97 (1999) BindingDB Entry DOI: 10.7270/Q280515N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	39.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	46.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	56.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (RAT)	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	67.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (RAT)	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	392	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla, Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 989-97 (1999) BindingDB Entry DOI: 10.7270/Q280515N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (RAT)	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by PDSP Ki Database									J Biol Chem 271: 27902-11 (1996) Article DOI: 10.1074/jbc.271.44.27902 BindingDB Entry DOI: 10.7270/Q2FF3QV5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50521174 (CHEMBL4476371) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(OC(F)F)cc1 Show InChI InChI=1S/C19H14F4N2O4/c1-19(10-2-5-12(6-3-10)29-17(22)23)16(27)25(18(28)24-19)9-15(26)13-7-4-11(20)8-14(13)21/h2-8,17H,9H2,1H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay				J Med Chem 61: 11221-11249 (2018) Article DOI: 10.1021/acs.jmedchem.8b01356 BindingDB Entry DOI: 10.7270/Q2QN6B5B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50521172 (CHEMBL4535475) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C19H14F2N6O3/c1-19(11-2-5-13(6-3-11)27-10-22-24-25-27)17(29)26(18(30)23-19)9-16(28)14-7-4-12(20)8-15(14)21/h2-8,10H,9H2,1H3,(H,23,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay				J Med Chem 61: 11221-11249 (2018) Article DOI: 10.1021/acs.jmedchem.8b01356 BindingDB Entry DOI: 10.7270/Q2QN6B5B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50521176 (CHEMBL4466173) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H13F2N3O3/c1-19(12-4-2-11(9-22)3-5-12)17(26)24(18(27)23-19)10-16(25)14-7-6-13(20)8-15(14)21/h2-8H,10H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay				J Med Chem 61: 11221-11249 (2018) Article DOI: 10.1021/acs.jmedchem.8b01356 BindingDB Entry DOI: 10.7270/Q2QN6B5B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50521179 (CHEMBL4534405) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C19H17F2N3O5S/c1-19(11-3-6-13(7-4-11)23-30(2,28)29)17(26)24(18(27)22-19)10-16(25)14-8-5-12(20)9-15(14)21/h3-9,23H,10H2,1-2H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay				J Med Chem 61: 11221-11249 (2018) Article DOI: 10.1021/acs.jmedchem.8b01356 BindingDB Entry DOI: 10.7270/Q2QN6B5B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50521175 (CHEMBL4470743) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H16F2N2O5S/c1-19(11-3-6-13(7-4-11)29(2,27)28)17(25)23(18(26)22-19)10-16(24)14-8-5-12(20)9-15(14)21/h3-9H,10H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay				J Med Chem 61: 11221-11249 (2018) Article DOI: 10.1021/acs.jmedchem.8b01356 BindingDB Entry DOI: 10.7270/Q2QN6B5B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50521177 (CHEMBL4463635) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)N1CCOC1=O Show InChI InChI=1S/C21H17F2N3O5/c1-21(12-2-5-14(6-3-12)25-8-9-31-20(25)30)18(28)26(19(29)24-21)11-17(27)15-7-4-13(22)10-16(15)23/h2-7,10H,8-9,11H2,1H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay				J Med Chem 61: 11221-11249 (2018) Article DOI: 10.1021/acs.jmedchem.8b01356 BindingDB Entry DOI: 10.7270/Q2QN6B5B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50521178 (CHEMBL4457226) Show SMILES CC1(NC(=O)N(CC(=O)c2ncc(F)cc2F)C1=O)c1ccc(cc1)C#N Show InChI InChI=1S/C18H12F2N4O3/c1-18(11-4-2-10(7-21)3-5-11)16(26)24(17(27)23-18)9-14(25)15-13(20)6-12(19)8-22-15/h2-6,8H,9H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay				J Med Chem 61: 11221-11249 (2018) Article DOI: 10.1021/acs.jmedchem.8b01356 BindingDB Entry DOI: 10.7270/Q2QN6B5B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50521173 (CHEMBL4557053) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccccc1 Show InChI InChI=1S/C18H14F2N2O3/c1-18(11-5-3-2-4-6-11)16(24)22(17(25)21-18)10-15(23)13-8-7-12(19)9-14(13)20/h2-9H,10H2,1H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay				J Med Chem 61: 11221-11249 (2018) Article DOI: 10.1021/acs.jmedchem.8b01356 BindingDB Entry DOI: 10.7270/Q2QN6B5B
					More data for this Ligand-Target Pair