Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'perini' and Initial = 'o'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411390 (CHEMBL397222) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)c(Cl)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H27Cl2N5OS/c1-17-14-24(31-34-17)20-5-4-18-8-11-33(12-9-19(18)15-20)10-3-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,3,8-13H2,1-2H3	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	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411385 (CHEMBL243896) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C#N)n3C)CCc2c1 Show InChI InChI=1S/C27H28N6OS/c1-19-16-25(31-34-19)24-9-8-21-10-13-33(14-11-23(21)17-24)12-3-15-35-27-30-29-26(32(27)2)22-6-4-20(18-28)5-7-22/h4-9,16-17H,3,10-15H2,1-2H3	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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411382 (CHEMBL395742) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(C)cc4)n3C)CCc2c1 Show InChI InChI=1S/C27H31N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h5-10,17-18H,4,11-16H2,1-3H3	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	25.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411387 (CHEMBL244279) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)cc4)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)22-5-4-19-10-13-32(14-11-21(19)17-22)12-3-15-34-26-29-28-25(31(26)2)20-6-8-23(27)9-7-20/h4-9,16-17H,3,10-15H2,1-2H3	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	25.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411392 (CHEMBL390649) Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C28H31F3N6S/c1-19-17-25(36(3)34-19)23-6-5-20-11-14-37(15-12-22(20)18-23)13-4-16-38-27-33-32-26(35(27)2)21-7-9-24(10-8-21)28(29,30)31/h5-10,17-18H,4,11-16H2,1-3H3	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	31.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411376 (CHEMBL390429) Show SMILES COc1ccccc1-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C27H31N5O2S/c1-19-17-24(30-34-19)22-10-9-20-11-14-32(15-12-21(20)18-22)13-6-16-35-27-29-28-26(31(27)2)23-7-4-5-8-25(23)33-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3	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	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411394 (CHEMBL244276) Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5[nH]ccc5c4)n3C)CCc2c1 Show InChI InChI=1S/C28H30N6OS/c1-19-18-30-27(35-19)24-5-4-20-9-13-34(14-10-21(20)16-24)12-3-15-36-28-32-31-26(33(28)2)23-6-7-25-22(17-23)8-11-29-25/h4-8,11,16-18,29H,3,9-10,12-15H2,1-2H3	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	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411367 (CHEMBL242600) Show SMILES COc1ccc(cc1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C27H31N5O2S/c1-19-17-25(30-34-19)23-6-5-20-11-14-32(15-12-22(20)18-23)13-4-16-35-27-29-28-26(31(27)2)21-7-9-24(33-3)10-8-21/h5-10,17-18H,4,11-16H2,1-3H3	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	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411388 (CHEMBL397429) Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cc5ccccc5[nH]4)n3C)CCc2c1 Show InChI InChI=1S/C28H30N6OS/c1-19-18-29-27(35-19)23-9-8-20-10-13-34(14-11-21(20)16-23)12-5-15-36-28-32-31-26(33(28)2)25-17-22-6-3-4-7-24(22)30-25/h3-4,6-9,16-18,30H,5,10-15H2,1-2H3	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	50.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411383 (CHEMBL244087) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccc4Cl)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)21-9-8-19-10-13-32(14-11-20(19)17-21)12-5-15-34-26-29-28-25(31(26)2)22-6-3-4-7-23(22)27/h3-4,6-9,16-17H,5,10-15H2,1-2H3	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	63.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411369 (CHEMBL243897) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C(F)(F)F)n3C)CCc2c1 Show InChI InChI=1S/C27H28F3N5OS/c1-18-16-24(33-36-18)22-5-4-19-10-13-35(14-11-21(19)17-22)12-3-15-37-26-32-31-25(34(26)2)20-6-8-23(9-7-20)27(28,29)30/h4-9,16-17H,3,10-15H2,1-2H3	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	63.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411396 (CHEMBL244278) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(Cl)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3	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	79.4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411373 (CHEMBL243860) Show SMILES CC1CCC(CC1)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C |(16.41,-46.4,;15.16,-45.51,;13.75,-46.15,;12.5,-45.26,;12.65,-43.73,;14.04,-43.08,;15.3,-43.97,;11.39,-42.84,;11.37,-41.28,;9.91,-40.84,;9.02,-42.09,;7.48,-42.1,;6.7,-40.78,;5.16,-40.79,;4.38,-39.47,;2.84,-39.48,;2.16,-38.09,;.64,-37.76,;-.57,-38.74,;-1.9,-37.98,;-3.23,-38.75,;-3.23,-40.29,;-1.9,-41.06,;-.56,-40.29,;.67,-41.25,;2.18,-40.89,;-4.57,-41.06,;-5.96,-40.44,;-6.99,-41.58,;-8.51,-41.41,;-6.24,-42.93,;-4.73,-42.61,;9.94,-43.34,;9.48,-44.81,)| Show InChI InChI=1S/C27H37N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h9-10,17-19,22H,4-8,11-16H2,1-3H3	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	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411379 (CHEMBL244086) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1 Show InChI InChI=1S/C24H27N5OS2/c1-17-15-21(27-30-17)20-7-6-18-8-11-29(12-9-19(18)16-20)10-4-14-32-24-26-25-23(28(24)2)22-5-3-13-31-22/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3	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	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423586 (CHEMBL256442) Show SMILES CCc1nc2ccc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2s1 Show InChI InChI=1S/C29H32N6S2/c1-4-26-31-25-12-10-20-13-16-35(17-14-21(20)27(25)37-26)15-6-18-36-29-33-32-28(34(29)3)23-7-5-8-24-22(23)11-9-19(2)30-24/h5,7-12H,4,6,13-18H2,1-3H3	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	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411400 (CHEMBL244945) Show SMILES COc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-15-23(30-34-18)21-6-5-19-9-12-32(13-10-20(19)16-21)11-4-14-35-26-29-28-25(31(26)2)22-7-8-24(33-3)27-17-22/h5-8,15-17H,4,9-14H2,1-3H3	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	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423584 (CHEMBL257717) Show SMILES Cc1ccn2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3nc2c1 Show InChI InChI=1S/C28H31N7S/c1-19-10-16-35-25-12-15-34(14-11-24(25)30-26(35)18-19)13-5-17-36-28-32-31-27(33(28)3)22-6-4-7-23-21(22)9-8-20(2)29-23/h4,6-10,16,18H,5,11-15,17H2,1-3H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423581 (CHEMBL411293) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4cc(ccn4c3CC2)C(F)(F)F)n1C Show InChI InChI=1S/C28H28F3N7S/c1-18-7-8-20-21(5-3-6-22(20)32-18)26-34-35-27(36(26)2)39-16-4-12-37-13-10-23-24(11-14-37)38-15-9-19(28(29,30)31)17-25(38)33-23/h3,5-9,15,17H,4,10-14,16H2,1-2H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423595 (CHEMBL270387) Show SMILES Cn1c(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)nnc1-c1ccccc1 Show InChI InChI=1S/C24H24F3N5OS/c1-31-21(17-6-3-2-4-7-17)29-30-23(31)34-15-5-12-32-13-10-16-8-9-19-20(18(16)11-14-32)28-22(33-19)24(25,26)27/h2-4,6-9H,5,10-15H2,1H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423600 (CHEMBL271034) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)C(F)(F)F)n1C Show InChI InChI=1S/C29H27F5N6OS/c1-17-7-9-20-21(5-3-6-22(20)35-17)25-37-38-27(39(25)2)42-16-4-13-40-14-11-18-8-10-23-24(19(18)12-15-40)36-26(41-23)28(30,31)29(32,33)34/h3,5-10H,4,11-16H2,1-2H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411384 (CHEMBL243898) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccn4)n3C)CCc2c1 Show InChI InChI=1S/C25H28N6OS/c1-18-16-23(29-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-28-27-24(30(25)2)22-6-3-4-11-26-22/h3-4,6-8,11,16-17H,5,9-10,12-15H2,1-2H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411381 (CHEMBL395743) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1 Show InChI InChI=1S/C25H30N6OS/c1-18-16-22(28-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-27-26-24(30(25)3)23-6-4-11-29(23)2/h4,6-8,11,16-17H,5,9-10,12-15H2,1-3H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411377 (CHEMBL244280) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(F)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H28FN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411399 (CHEMBL245118) Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C27H30F2N6S/c1-18-15-25(34(3)32-18)21-6-5-19-9-12-35(13-10-20(19)16-21)11-4-14-36-27-31-30-26(33(27)2)22-7-8-23(28)24(29)17-22/h5-8,15-17H,4,9-14H2,1-3H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423599 (CHEMBL402215) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)C(F)(F)F)n1C Show InChI InChI=1S/C23H23F5N6O2S/c1-13-18(35-12-29-13)19-31-32-21(33(19)2)37-11-3-8-34-9-6-14-4-5-16-17(15(14)7-10-34)30-20(36-16)22(24,25)23(26,27)28/h4-5,12H,3,6-11H2,1-2H3	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	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411366 (CHEMBL243900) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(F)(F)F)CCc2c1 Show InChI InChI=1S/C21H24F3N5OS/c1-14-12-18(27-30-14)17-5-4-15-6-9-29(10-7-16(15)13-17)8-3-11-31-20-26-25-19(28(20)2)21(22,23)24/h4-5,12-13H,3,6-11H2,1-2H3	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	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411397 (CHEMBL243708) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5nc(C)c(C)nc5c4)n3C)CCc2c1 Show InChI InChI=1S/C30H33N7OS/c1-19-16-27(35-38-19)24-7-6-22-10-13-37(14-11-23(22)17-24)12-5-15-39-30-34-33-29(36(30)4)25-8-9-26-28(18-25)32-21(3)20(2)31-26/h6-9,16-18H,5,10-15H2,1-4H3	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	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411375 (CHEMBL244275) Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1 Show InChI InChI=1S/C24H27N5OS2/c1-17-16-25-23(30-17)20-7-6-18-8-11-29(12-9-19(18)15-20)10-4-14-32-24-27-26-22(28(24)2)21-5-3-13-31-21/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411374 (CHEMBL243474) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(C)(C)C)CCc2c1 Show InChI InChI=1S/C24H33N5OS/c1-17-15-21(27-30-17)20-8-7-18-9-12-29(13-10-19(18)16-20)11-6-14-31-23-26-25-22(28(23)5)24(2,3)4/h7-8,15-16H,6,9-14H2,1-5H3	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	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411371 (CHEMBL242602) Show SMILES Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C26H28F2N6S/c1-17-14-24(33(3)31-17)20-5-4-18-8-10-34(11-9-19(18)15-20)12-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,8-13H2,1-3H3	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	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50222113 (7-(5-methyl-3-isoxazolyl)-3-(3-{[4-methyl-5-(2-met...) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1 Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)31-20)29-32-33-30(35(29)3)38-17-5-14-36-15-12-22-9-10-24(19-23(22)13-16-36)28-18-21(2)37-34-28/h4,6-11,18-19H,5,12-17H2,1-3H3	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	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411395 (CHEMBL244277) Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1 Show InChI InChI=1S/C25H30N6OS/c1-18-17-26-24(32-18)21-8-7-19-9-13-31(14-10-20(19)16-21)12-5-15-33-25-28-27-23(30(25)3)22-6-4-11-29(22)2/h4,6-8,11,16-17H,5,9-10,12-15H2,1-3H3	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	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423575 (CHEMBL272588) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCc3nc4cc(ccn4c3CC2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N7OS/c1-14-19(33-13-26-14)20-28-29-21(30(20)2)34-11-3-7-31-8-5-16-17(6-9-31)32-10-4-15(22(23,24)25)12-18(32)27-16/h4,10,12-13H,3,5-9,11H2,1-2H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423591 (CHEMBL272297) Show SMILES Cc1cc(-c2nc3c4CCN(CCCSc5nnc(-c6ocnc6C)n5C)CCc4ccc3o2)n(C)n1 Show InChI InChI=1S/C26H30N8O2S/c1-16-14-20(33(4)31-16)25-28-22-19-9-12-34(11-8-18(19)6-7-21(22)36-25)10-5-13-37-26-30-29-24(32(26)3)23-17(2)27-15-35-23/h6-7,14-15H,5,8-13H2,1-4H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423592 (CHEMBL402853) Show SMILES Cc1cc(-c2nc3c4CCN(CCCSc5nnc(-c6cccc7nc(C)ccc67)n5C)CCc4ccc3o2)n(C)n1 Show InChI InChI=1S/C32H34N8OS/c1-20-9-11-24-25(7-5-8-26(24)33-20)30-35-36-32(38(30)3)42-18-6-15-40-16-13-22-10-12-28-29(23(22)14-17-40)34-31(41-28)27-19-21(2)37-39(27)4/h5,7-12,19H,6,13-18H2,1-4H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423594 (CHEMBL270376) Show SMILES Cc1nc(C)c(s1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C Show InChI InChI=1S/C23H25F3N6OS2/c1-13-19(35-14(2)27-13)20-29-30-22(31(20)3)34-12-4-9-32-10-7-15-5-6-17-18(16(15)8-11-32)28-21(33-17)23(24,25)26/h5-6H,4,7-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411378 (CHEMBL244084) Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1 Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)32-20)28-33-34-30(35(28)3)38-17-5-14-36-15-12-22-9-10-24(18-23(22)13-16-36)29-31-19-21(2)37-29/h4,6-11,18-19H,5,12-17H2,1-3H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411368 (CHEMBL244085) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccncc4)n3C)CCc2c1 Show InChI InChI=1S/C25H28N6OS/c1-18-16-23(29-32-18)22-5-4-19-8-13-31(14-9-21(19)17-22)12-3-15-33-25-28-27-24(30(25)2)20-6-10-26-11-7-20/h4-7,10-11,16-17H,3,8-9,12-15H2,1-2H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411401 (CHEMBL243859) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C4CCCC4)n3C)CCc2c1 Show InChI InChI=1S/C25H33N5OS/c1-18-16-23(28-31-18)22-9-8-19-10-13-30(14-11-21(19)17-22)12-5-15-32-25-27-26-24(29(25)2)20-6-3-4-7-20/h8-9,16-17,20H,3-7,10-15H2,1-2H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411380 (CHEMBL243899) Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C)n3C)CCc2c1 Show InChI InChI=1S/C21H27N5OS/c1-15-13-20(24-27-15)19-6-5-17-7-10-26(11-8-18(17)14-19)9-4-12-28-21-23-22-16(2)25(21)3/h5-6,13-14H,4,7-12H2,1-3H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423590 (CHEMBL404363) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(F)(F)F)n1C Show InChI InChI=1S/C28H27F3N6OS/c1-17-7-9-20-21(5-3-6-22(20)32-17)25-34-35-27(36(25)2)39-16-4-13-37-14-11-18-8-10-23-24(19(18)12-15-37)38-26(33-23)28(29,30)31/h3,5-10H,4,11-16H2,1-2H3	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+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411391 (CHEMBL242603) Show SMILES CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2ccc(cc2CC1)-c1cc(C)nn1C |w:1.0| Show InChI InChI=1S/C32H37N7S/c1-21-9-12-27-28(7-6-8-29(27)33-21)31-34-35-32(37(31)4)40-18-15-23(3)39-16-13-24-10-11-26(20-25(24)14-17-39)30-19-22(2)36-38(30)5/h6-12,19-20,23H,13-18H2,1-5H3	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411365 (CHEMBL243901) Show SMILES CC(C)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C23H31N5OS/c1-16(2)22-24-25-23(27(22)4)30-13-5-10-28-11-8-18-6-7-20(15-19(18)9-12-28)21-14-17(3)29-26-21/h6-7,14-16H,5,8-13H2,1-4H3	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicine Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells				J Med Chem 50: 5076-89 (2007) Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423598 (CHEMBL270602) Show SMILES Cc1cnc(cn1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C Show InChI InChI=1S/C23H24F3N7OS/c1-14-12-28-17(13-27-14)20-30-31-22(32(20)2)35-11-3-8-33-9-6-15-4-5-18-19(16(15)7-10-33)29-21(34-18)23(24,25)26/h4-5,12-13H,3,6-11H2,1-2H3	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423602 (CHEMBL271449) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C Show InChI InChI=1S/C22H23F3N6O2S/c1-13-18(32-12-26-13)19-28-29-21(30(19)2)34-11-3-8-31-9-6-14-4-5-16-17(15(14)7-10-31)27-20(33-16)22(23,24)25/h4-5,12H,3,6-11H2,1-2H3	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423583 (CHEMBL257716) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4ccc(Cl)cn4c3CC2)n1C Show InChI InChI=1S/C27H28ClN7S/c1-18-7-9-20-21(5-3-6-22(20)29-18)26-31-32-27(33(26)2)36-16-4-13-34-14-11-23-24(12-15-34)35-17-19(28)8-10-25(35)30-23/h3,5-10,17H,4,11-16H2,1-2H3	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423597 (CHEMBL404404) Show SMILES Cc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C Show InChI InChI=1S/C24H25F3N6OS/c1-15-4-5-17(14-28-15)21-30-31-23(32(21)2)35-13-3-10-33-11-8-16-6-7-19-20(18(16)9-12-33)29-22(34-19)24(25,26)27/h4-7,14H,3,8-13H2,1-2H3	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423593 (CHEMBL403815) Show SMILES Cc1nc2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Cl)cc2o1 Show InChI InChI=1S/C28H29ClN6OS/c1-17-8-9-20-22(6-4-7-24(20)30-17)27-32-33-28(34(27)3)37-15-5-12-35-13-10-19-21(11-14-35)26-25(16-23(19)29)36-18(2)31-26/h4,6-9,16H,5,10-15H2,1-3H3	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50423579 (CHEMBL271511) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCc3nc4ccc(cn4c3CC2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N7OS/c1-14-19(33-13-26-14)20-28-29-21(30(20)2)34-11-3-8-31-9-6-16-17(7-10-31)32-12-15(22(23,24)25)4-5-18(32)27-16/h4-5,12-13H,3,6-11H2,1-2H3	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50370572 (CHEMBL85606 | SB-277011) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(-5.17,2.38,;-5.16,.84,;-3.83,.08,;-2.49,.85,;-2.5,2.39,;-1.16,3.16,;.18,2.39,;1.51,3.16,;2.84,2.39,;4.18,3.16,;4.17,4.69,;5.51,5.46,;6.84,4.68,;8.18,5.44,;9.51,4.67,;9.5,3.12,;8.16,2.36,;6.83,3.14,;5.51,2.38,;10.85,5.43,;12.18,6.19,;.17,.85,;-1.15,.08,;-6.49,.07,;-7.83,.83,;-9.16,.06,;-9.16,-1.48,;-7.83,-2.25,;-7.83,-3.79,;-6.49,-4.56,;-5.15,-3.79,;-5.16,-2.25,;-6.49,-1.48,)| Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 18: 908-12 (2008) Article DOI: 10.1016/j.bmcl.2007.12.042 BindingDB Entry DOI: 10.7270/Q2HD7WZC
					More data for this Ligand-Target Pair

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