Compile Data Set for Download or QSAR

Found 1610 hits with Last Name = 'verras' and Initial = 'a'   

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))	BDBM50523582 (CHEMBL4447657) Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5/c1-31-10-12-32(13-11-31)22-9-6-18(15-28-22)16-2-4-17(5-3-16)23-29-20-8-7-19(24(25,26)27)14-21(20)30-23/h2-9,14-15H,10-13H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	426	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523610 (CHEMBL4472207) Show SMILES FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H12F3N3/c22-21(23,24)17-9-10-18-19(11-17)27-20(26-18)16-7-5-15(6-8-16)14-3-1-13(12-25)2-4-14/h1-11H,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	616	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523611 (CHEMBL4453601) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4/c1-31-12-14-32(15-13-31)21-9-6-18(7-10-21)17-2-4-19(5-3-17)24-29-22-11-8-20(25(26,27)28)16-23(22)30-24/h2-11,16H,12-15H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523601 (CHEMBL4467163) Show SMILES OC(=O)c1ccc(Oc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C24H15ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h1-13H,(H,28,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523622 (CHEMBL4525823) Show SMILES FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C19H12F3N3/c20-19(21,22)15-7-8-16-17(10-15)25-18(24-16)13-5-3-12(4-6-13)14-2-1-9-23-11-14/h1-11H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523624 (CHEMBL4575608) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H13F3N2O/c21-20(22,23)15-7-10-17-18(11-15)25-19(24-17)14-3-1-12(2-4-14)13-5-8-16(26)9-6-13/h1-11,26H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523614 (CHEMBL4562424) Show SMILES CC1(C)CN(CCC1CC(O)=O)c1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C26H26ClN5O2/c1-26(2)15-32(10-9-18(26)11-24(33)34)23-8-4-16(13-29-23)20-6-3-17(14-28-20)25-30-21-7-5-19(27)12-22(21)31-25/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,30,31)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523591 (CHEMBL4516271) Show SMILES CC1(CCCN(C1)c1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1)C(O)=O Show InChI InChI=1S/C24H22ClN5O2/c1-24(23(31)32)9-2-10-30(14-24)21-8-4-15(12-27-21)18-6-3-16(13-26-18)22-28-19-7-5-17(25)11-20(19)29-22/h3-8,11-13H,2,9-10,14H2,1H3,(H,28,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523623 (CHEMBL4443018) Show SMILES Oc1ccc(cn1)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C19H12F3N3O/c20-19(21,22)14-6-7-15-16(9-14)25-18(24-15)12-3-1-11(2-4-12)13-5-8-17(26)23-10-13/h1-10H,(H,23,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523621 (CHEMBL4541477) Show SMILES FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H13F3N2/c21-20(22,23)16-10-11-17-18(12-16)25-19(24-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523597 (CHEMBL4561313) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C#N |r,wD:7.10,4.3,(71.52,-14.35,;70.76,-13.02,;69.22,-13.01,;71.53,-11.69,;70.76,-10.35,;71.53,-9.02,;70.76,-7.67,;69.23,-7.69,;68.45,-9.02,;69.22,-10.34,;68.46,-6.36,;66.92,-6.36,;66.14,-5.02,;64.6,-5.03,;63.84,-6.36,;64.61,-7.69,;66.15,-7.69,;62.3,-6.36,;61.53,-5.02,;59.99,-5.02,;59.22,-6.35,;59.99,-7.69,;61.53,-7.69,;57.69,-6.35,;56.78,-5.1,;55.31,-5.58,;53.98,-4.81,;52.65,-5.58,;52.64,-7.13,;53.98,-7.9,;55.31,-7.12,;56.78,-7.6,;51.32,-4.81,;49.98,-4.04,)| Show InChI InChI=1S/C26H23N5O3/c27-13-17-3-8-22-23(11-17)31-26(30-22)19-4-9-21(28-15-19)18-5-10-24(29-14-18)34-20-6-1-16(2-7-20)12-25(32)33/h3-5,8-11,14-16,20H,1-2,6-7,12H2,(H,30,31)(H,32,33)/t16-,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523594 (CHEMBL4453443) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wD:7.10,4.3,(78.66,-47.58,;77.89,-46.25,;76.35,-46.24,;78.67,-44.91,;77.9,-43.58,;78.67,-42.25,;77.9,-40.91,;76.37,-40.92,;75.59,-42.25,;76.36,-43.57,;75.6,-39.59,;74.06,-39.59,;73.28,-38.25,;71.74,-38.26,;70.98,-39.59,;71.75,-40.92,;73.29,-40.92,;69.44,-39.59,;68.67,-38.25,;67.13,-38.25,;66.36,-39.58,;67.13,-40.92,;68.67,-40.92,;64.83,-39.58,;63.92,-38.33,;62.45,-38.81,;61.12,-38.04,;59.79,-38.82,;58.45,-38.05,;59.78,-40.36,;61.12,-41.13,;62.45,-40.35,;63.92,-40.83,)| Show InChI InChI=1S/C25H23ClN4O3/c26-18-5-9-21-22(12-18)30-25(29-21)17-3-8-20(27-14-17)16-4-10-23(28-13-16)33-19-6-1-15(2-7-19)11-24(31)32/h3-5,8-10,12-15,19H,1-2,6-7,11H2,(H,29,30)(H,31,32)/t15-,19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523620 (CHEMBL4452750) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C#N |r,wU:7.10,wD:4.3,(72.91,-13.35,;72.15,-12.01,;70.61,-11.99,;72.93,-10.68,;72.17,-9.34,;72.95,-8.01,;72.19,-6.67,;70.65,-6.67,;69.87,-7.99,;70.63,-9.33,;69.89,-5.34,;68.35,-5.33,;67.57,-6.65,;66.04,-6.65,;65.29,-5.31,;66.04,-3.99,;67.59,-3.99,;63.75,-5.31,;62.97,-3.97,;61.44,-3.98,;60.67,-5.31,;61.44,-6.64,;62.98,-6.65,;59.14,-5.31,;58.23,-4.06,;56.76,-4.53,;55.42,-3.77,;54.09,-4.54,;54.09,-6.09,;55.43,-6.86,;56.76,-6.08,;58.23,-6.56,;52.76,-3.77,;51.43,-3,)| Show InChI InChI=1S/C26H29N5O3/c27-15-18-3-7-22-23(13-18)30-26(29-22)19-4-8-24(28-16-19)31-11-9-21(10-12-31)34-20-5-1-17(2-6-20)14-25(32)33/h3-4,7-8,13,16-17,20-21H,1-2,5-6,9-12,14H2,(H,29,30)(H,32,33)/t17-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50437390 (CHEMBL2408633) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,wD:3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)| Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523625 (CHEMBL4554202) Show SMILES OC(=O)C1CCCCC1Nc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C24H22ClN5O2/c25-16-7-9-20-21(11-16)30-23(29-20)15-5-8-18(26-13-15)14-6-10-22(27-12-14)28-19-4-2-1-3-17(19)24(31)32/h5-13,17,19H,1-4H2,(H,27,28)(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523615 (CHEMBL4461413) Show SMILES OC(=O)C1CCC(CC1)Nc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |(53.38,-45.19,;51.84,-45.2,;51.06,-43.87,;51.08,-46.54,;51.85,-47.87,;51.09,-49.2,;49.56,-49.2,;48.77,-47.89,;49.54,-46.55,;48.8,-50.54,;47.26,-50.56,;46.47,-49.23,;44.94,-49.24,;44.18,-50.58,;44.96,-51.91,;46.5,-51.9,;42.65,-50.59,;41.87,-49.26,;40.33,-49.27,;39.57,-50.61,;40.35,-51.94,;41.89,-51.93,;38.04,-50.62,;37.12,-49.37,;35.66,-49.86,;34.32,-49.1,;32.99,-49.87,;31.66,-49.1,;32.99,-51.41,;34.33,-52.18,;35.67,-51.4,;37.14,-51.87,)| Show InChI InChI=1S/C24H22ClN5O2/c25-17-5-9-20-21(11-17)30-23(29-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)28-18-6-1-14(2-7-18)24(31)32/h3-5,8-14,18H,1-2,6-7H2,(H,27,28)(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523604 (CHEMBL4458847) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2c(F)cc(F)cc2[nH]1 |r,wD:7.10,4.3,(77.9,-58.59,;77.14,-57.26,;75.6,-57.25,;77.91,-55.92,;77.14,-54.59,;77.91,-53.25,;77.15,-51.91,;75.61,-51.93,;74.84,-53.25,;75.6,-54.58,;74.84,-50.59,;73.3,-50.6,;72.52,-49.26,;70.99,-49.27,;70.22,-50.59,;70.99,-51.93,;72.53,-51.93,;68.68,-50.59,;67.91,-49.25,;66.37,-49.26,;65.61,-50.59,;66.37,-51.93,;67.91,-51.93,;64.07,-50.59,;63.16,-49.34,;61.69,-49.81,;60.36,-49.05,;60.35,-47.51,;59.03,-49.82,;59.03,-51.37,;57.69,-52.14,;60.36,-52.14,;61.69,-51.36,;63.16,-51.84,)| Show InChI InChI=1S/C25H22F2N4O3/c26-17-10-19(27)24-21(11-17)30-25(31-24)16-3-7-20(28-13-16)15-4-8-22(29-12-15)34-18-5-1-14(2-6-18)9-23(32)33/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,30,31)(H,32,33)/t14-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523600 (CHEMBL4464262) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cc(F)cc2[nH]1 |r,wU:7.10,wD:4.3,(22.62,-56.01,;21.86,-54.67,;20.32,-54.66,;22.64,-53.34,;21.88,-52,;22.66,-50.67,;21.9,-49.33,;20.37,-49.33,;19.59,-50.65,;20.34,-51.99,;19.61,-48,;18.07,-47.99,;17.29,-49.32,;15.76,-49.31,;15,-47.98,;15.76,-46.65,;17.3,-46.65,;13.46,-47.97,;12.69,-46.64,;11.15,-46.64,;10.39,-47.97,;11.15,-49.31,;12.69,-49.31,;8.85,-47.97,;7.94,-46.72,;6.47,-47.19,;5.14,-46.43,;5.13,-44.89,;3.81,-47.2,;3.81,-48.75,;2.47,-49.52,;5.14,-49.52,;6.47,-48.74,;7.94,-49.22,)| Show InChI InChI=1S/C25H28F2N4O3/c26-17-12-20(27)24-21(13-17)29-25(30-24)16-3-6-22(28-14-16)31-9-7-19(8-10-31)34-18-4-1-15(2-5-18)11-23(32)33/h3,6,12-15,18-19H,1-2,4-5,7-11H2,(H,29,30)(H,32,33)/t15-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523584 (CHEMBL4452940) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(24.82,-57.8,;24.05,-56.46,;22.51,-56.46,;24.82,-55.13,;24.05,-53.8,;24.83,-52.46,;24.06,-51.12,;22.52,-51.14,;21.75,-52.46,;22.51,-53.79,;21.75,-49.8,;20.21,-49.81,;19.43,-48.47,;17.9,-48.47,;17.13,-49.8,;17.9,-51.14,;19.44,-51.14,;15.6,-49.8,;14.82,-48.46,;13.28,-48.47,;12.52,-49.8,;13.28,-51.13,;14.82,-51.14,;10.98,-49.8,;10.08,-48.55,;8.6,-49.02,;7.27,-48.26,;5.94,-49.03,;5.94,-50.58,;7.27,-51.35,;8.6,-50.57,;10.07,-51.05,;4.61,-48.26,;4.61,-46.72,;3.27,-49.03,;3.27,-47.49,)| Show InChI InChI=1S/C26H23F3N4O3/c27-26(28,29)18-5-9-21-22(12-18)33-25(32-21)17-3-8-20(30-14-17)16-4-10-23(31-13-16)36-19-6-1-15(2-7-19)11-24(34)35/h3-5,8-10,12-15,19H,1-2,6-7,11H2,(H,32,33)(H,34,35)/t15-,19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523596 (CHEMBL4473500) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wU:7.10,wD:4.3,(73.88,-44.52,;73.12,-43.18,;71.58,-43.17,;73.9,-41.85,;73.14,-40.51,;73.92,-39.18,;73.16,-37.84,;71.63,-37.85,;70.84,-39.17,;71.6,-40.5,;70.86,-36.51,;69.32,-36.5,;68.55,-37.83,;67.02,-37.82,;66.26,-36.49,;67.02,-35.16,;68.56,-35.17,;64.72,-36.49,;63.94,-35.15,;62.41,-35.15,;61.64,-36.48,;62.41,-37.82,;63.95,-37.82,;60.11,-36.48,;59.2,-35.23,;57.73,-35.71,;56.39,-34.95,;55.07,-35.72,;53.73,-34.95,;55.06,-37.26,;56.4,-38.03,;57.73,-37.25,;59.2,-37.73,)| Show InChI InChI=1S/C25H29ClN4O3/c26-18-4-7-21-22(14-18)29-25(28-21)17-3-8-23(27-15-17)30-11-9-20(10-12-30)33-19-5-1-16(2-6-19)13-24(31)32/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,28,29)(H,31,32)/t16-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523612 (CHEMBL4476596) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1)C(O)=O Show InChI InChI=1S/C24H22ClN5O2/c1-24(23(31)32)8-10-30(11-9-24)21-7-3-15(13-27-21)18-5-2-16(14-26-18)22-28-19-6-4-17(25)12-20(19)29-22/h2-7,12-14H,8-11H2,1H3,(H,28,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523580 (CHEMBL4572398) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.94,-42.6,;48.18,-41.26,;46.64,-41.25,;48.96,-39.93,;48.2,-38.59,;48.98,-37.26,;48.22,-35.92,;46.69,-35.92,;45.91,-37.24,;46.66,-38.58,;45.92,-34.59,;44.38,-34.58,;43.61,-35.91,;42.08,-35.9,;41.32,-34.57,;42.08,-33.24,;43.62,-33.25,;39.78,-34.56,;39.01,-33.23,;37.47,-33.23,;36.7,-34.56,;37.47,-35.9,;39.01,-35.9,;35.17,-34.56,;34.26,-33.31,;32.79,-33.78,;31.46,-33.02,;30.13,-33.79,;30.13,-35.34,;31.46,-36.11,;32.79,-35.33,;34.26,-35.81,;28.79,-33.02,;28.79,-31.48,;27.46,-33.79,;27.45,-32.25,)| Show InChI InChI=1S/C26H29F3N4O3/c27-26(28,29)18-4-7-21-22(14-18)32-25(31-21)17-3-8-23(30-15-17)33-11-9-20(10-12-33)36-19-5-1-16(2-6-19)13-24(34)35/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,31,32)(H,34,35)/t16-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523626 (CHEMBL4450287) Show SMILES OC(=O)CC1CCN(CC1)c1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C24H22ClN5O2/c25-18-3-5-20-21(12-18)29-24(28-20)17-1-4-19(26-14-17)16-2-6-22(27-13-16)30-9-7-15(8-10-30)11-23(31)32/h1-6,12-15H,7-11H2,(H,28,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50437391 (CHEMBL2408632) Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)| Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523618 (CHEMBL4527223) Show SMILES OC(=O)C1(COc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)COC1 Show InChI InChI=1S/C22H17ClN4O4/c23-15-3-5-17-18(7-15)27-20(26-17)14-1-4-16(24-9-14)13-2-6-19(25-8-13)31-12-22(21(28)29)10-30-11-22/h1-9H,10-12H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523583 (CHEMBL4585408) Show SMILES CC(C)(COc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1)C(O)=O Show InChI InChI=1S/C22H19ClN4O3/c1-22(2,21(28)29)12-30-19-8-4-13(10-25-19)16-6-3-14(11-24-16)20-26-17-7-5-15(23)9-18(17)27-20/h3-11H,12H2,1-2H3,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523588 (CHEMBL4483357) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 |r,wD:7.10,4.3,(24,-13.44,;23.23,-12.11,;21.69,-12.1,;24,-10.77,;23.24,-9.44,;24.01,-8.1,;23.24,-6.76,;21.71,-6.78,;20.93,-8.11,;21.7,-9.43,;20.93,-5.45,;19.39,-5.45,;18.62,-4.11,;17.08,-4.12,;16.31,-5.45,;17.08,-6.78,;18.62,-6.78,;14.78,-5.45,;14,-4.11,;12.47,-4.11,;11.7,-5.44,;12.47,-6.78,;14.01,-6.78,;10.17,-5.44,;9.26,-4.19,;7.79,-4.67,;6.45,-3.9,;5.12,-4.67,;3.79,-3.9,;5.12,-6.22,;6.45,-6.99,;7.79,-6.21,;9.26,-6.69,)| Show InChI InChI=1S/C25H23FN4O3/c26-18-5-9-21-22(12-18)30-25(29-21)17-3-8-20(27-14-17)16-4-10-23(28-13-16)33-19-6-1-15(2-7-19)11-24(31)32/h3-5,8-10,12-15,19H,1-2,6-7,11H2,(H,29,30)(H,31,32)/t15-,19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523619 (CHEMBL4592144) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)cnc2[nH]1 |r,wD:7.10,4.3,(47.07,-14.03,;46.31,-12.69,;44.77,-12.69,;47.08,-11.36,;46.31,-10.02,;47.08,-8.69,;46.32,-7.35,;44.78,-7.36,;44.01,-8.69,;44.77,-10.02,;44.01,-6.03,;42.47,-6.03,;41.69,-4.69,;40.16,-4.7,;39.39,-6.03,;40.16,-7.37,;41.7,-7.37,;37.85,-6.03,;37.08,-4.69,;35.54,-4.69,;34.78,-6.02,;35.54,-7.36,;37.08,-7.36,;33.24,-6.02,;32.33,-4.77,;30.86,-5.25,;29.53,-4.49,;28.2,-5.26,;26.87,-4.49,;28.2,-6.8,;29.53,-7.57,;30.86,-6.8,;32.33,-7.27,)| Show InChI InChI=1S/C24H22ClN5O3/c25-17-10-20-24(28-13-17)30-23(29-20)16-3-7-19(26-12-16)15-4-8-21(27-11-15)33-18-5-1-14(2-6-18)9-22(31)32/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,31,32)(H,28,29,30)/t14-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50264808 (CHEMBL4069786) Show SMILES OC(=O)C1CCC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)OC1 Show InChI InChI=1S/C23H23F3N4O3/c24-23(25,26)16-2-3-17-18(11-16)29-20(28-17)14-1-4-19(27-12-14)30-9-7-22(8-10-30)6-5-15(13-33-22)21(31)32/h1-4,11-12,15H,5-10,13H2,(H,28,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Activity against human A2AR assessed as inhibition of cAMP accumulation by cAMP functional assay				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50031504 (CHEMBL3342770) Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 |r,wU:6.9,3.2,(22.66,-7.8,;22.66,-6.26,;24,-5.5,;21.33,-5.48,;21.33,-3.94,;20,-3.16,;18.67,-3.93,;18.66,-5.48,;19.99,-6.25,;17.33,-3.16,;16,-3.93,;16,-5.47,;14.67,-6.24,;13.34,-5.47,;13.33,-3.93,;14.66,-3.16,;12,-6.24,;10.67,-5.47,;9.34,-6.25,;9.34,-7.79,;10.67,-8.56,;12.01,-7.79,;8,-8.55,;6.6,-7.93,;5.57,-9.07,;4.04,-9.07,;3.27,-10.4,;1.73,-10.4,;4.04,-11.73,;5.57,-11.73,;6.33,-10.4,;7.84,-10.08,)| Show InChI InChI=1S/C24H27FN4O3/c25-17-4-7-20-21(13-17)28-23(27-20)16-3-8-22(26-14-16)29-11-9-19(10-12-29)32-18-5-1-15(2-6-18)24(30)31/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,27,28)(H,30,31)/t15-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Activity against human A2AR assessed as inhibition of cAMP accumulation by cAMP functional assay				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523606 (CHEMBL4461166) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cccc2[nH]1 |r,wU:7.10,wD:4.3,(75.44,-57.01,;74.68,-55.67,;73.14,-55.65,;75.46,-54.34,;74.71,-53,;75.49,-51.67,;74.72,-50.32,;73.19,-50.33,;72.41,-51.65,;73.16,-52.98,;72.43,-48.99,;70.89,-48.99,;70.11,-50.31,;68.58,-50.31,;67.82,-48.97,;68.58,-47.64,;70.12,-47.65,;66.29,-48.97,;65.51,-47.63,;63.97,-47.64,;63.21,-48.97,;63.97,-50.3,;65.51,-50.3,;61.67,-48.97,;60.77,-47.72,;59.29,-48.19,;57.96,-47.43,;57.95,-45.89,;56.63,-48.2,;56.63,-49.74,;57.96,-50.52,;59.29,-49.74,;60.76,-50.22,)| Show InChI InChI=1S/C25H29FN4O3/c26-20-2-1-3-21-24(20)29-25(28-21)17-6-9-22(27-15-17)30-12-10-19(11-13-30)33-18-7-4-16(5-8-18)14-23(31)32/h1-3,6,9,15-16,18-19H,4-5,7-8,10-14H2,(H,28,29)(H,31,32)/t16-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523617 (CHEMBL4461148) Show SMILES OC(=O)C1(COc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)CC1 Show InChI InChI=1S/C22H17ClN4O3/c23-15-3-5-17-18(9-15)27-20(26-17)14-1-4-16(24-11-14)13-2-6-19(25-10-13)30-12-22(7-8-22)21(28)29/h1-6,9-11H,7-8,12H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523585 (CHEMBL4577468) Show SMILES OC(=O)c1ccc(CNc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C25H18ClN5O2/c26-19-7-9-21-22(11-19)31-24(30-21)18-5-8-20(27-14-18)17-6-10-23(29-13-17)28-12-15-1-3-16(4-2-15)25(32)33/h1-11,13-14H,12H2,(H,28,29)(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523607 (CHEMBL4531344) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.73,-14.68,;47.97,-13.34,;46.43,-13.32,;48.76,-12.01,;48,-10.67,;48.78,-9.34,;48.02,-8,;46.48,-8,;45.7,-9.32,;46.46,-10.66,;45.72,-6.67,;44.18,-6.66,;43.4,-7.98,;41.87,-7.98,;41.11,-6.64,;41.87,-5.32,;43.41,-5.32,;39.58,-6.64,;38.8,-5.3,;37.26,-5.31,;36.5,-6.64,;37.26,-7.97,;38.8,-7.98,;34.96,-6.64,;34.06,-5.39,;32.59,-5.86,;31.25,-5.1,;29.92,-5.87,;29.92,-7.42,;31.25,-8.19,;32.58,-7.41,;34.05,-7.89,;28.59,-5.1,;28.59,-3.56,;27.25,-5.87,;27.25,-4.33,)| Show InChI InChI=1S/C25H28F3N5O3/c26-25(27,28)17-12-20-24(30-14-17)32-23(31-20)16-3-6-21(29-13-16)33-9-7-19(8-10-33)36-18-4-1-15(2-5-18)11-22(34)35/h3,6,12-15,18-19H,1-2,4-5,7-11H2,(H,34,35)(H,30,31,32)/t15-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523613 (CHEMBL4534257) Show SMILES OC(=O)C1(CNc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)CC1 Show InChI InChI=1S/C22H18ClN5O2/c23-15-3-5-17-18(9-15)28-20(27-17)14-1-4-16(24-11-14)13-2-6-19(25-10-13)26-12-22(7-8-22)21(29)30/h1-6,9-11H,7-8,12H2,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523593 (CHEMBL4574644) Show SMILES FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H19F3N4O/c24-23(25,26)18-6-7-19-20(13-18)29-22(28-19)16-3-1-15(2-4-16)17-5-8-21(27-14-17)30-9-11-31-12-10-30/h1-8,13-14H,9-12H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523603 (CHEMBL4527253) Show SMILES OC(=O)C1CC1COc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C22H17ClN4O3/c23-15-3-5-18-19(8-15)27-21(26-18)13-1-4-17(24-10-13)12-2-6-20(25-9-12)30-11-14-7-16(14)22(28)29/h1-6,8-10,14,16H,7,11H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523586 (CHEMBL4543944) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wD:7.10,4.3,(51.56,-57.92,;50.79,-56.58,;49.25,-56.58,;51.56,-55.25,;50.79,-53.91,;51.57,-52.58,;50.8,-51.24,;49.26,-51.25,;48.49,-52.58,;49.25,-53.91,;48.49,-49.92,;46.95,-49.92,;46.17,-48.58,;44.64,-48.59,;43.87,-49.92,;44.64,-51.26,;46.18,-51.26,;42.34,-49.92,;41.56,-48.58,;40.02,-48.59,;39.26,-49.91,;40.03,-51.25,;41.56,-51.25,;37.72,-49.92,;36.82,-48.66,;35.35,-49.14,;34.01,-48.38,;32.68,-49.15,;31.35,-48.38,;32.68,-50.69,;31.34,-51.46,;34.01,-51.46,;35.34,-50.69,;36.81,-51.17,)| Show InChI InChI=1S/C25H22F2N4O3/c26-18-10-21-22(11-19(18)27)31-25(30-21)16-3-7-20(28-13-16)15-4-8-23(29-12-15)34-17-5-1-14(2-6-17)9-24(32)33/h3-4,7-8,10-14,17H,1-2,5-6,9H2,(H,30,31)(H,32,33)/t14-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523587 (CHEMBL4460750) Show SMILES OC(=O)C1(COc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)CCC1 Show InChI InChI=1S/C23H19ClN4O3/c24-16-4-6-18-19(10-16)28-21(27-18)15-2-5-17(25-12-15)14-3-7-20(26-11-14)31-13-23(22(29)30)8-1-9-23/h2-7,10-12H,1,8-9,13H2,(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523602 (CHEMBL4467830) Show SMILES OC(=O)C1CC(C1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |(75.16,-35.1,;75.92,-33.76,;77.46,-33.75,;75.14,-32.44,;73.65,-32.05,;74.03,-30.56,;75.52,-30.95,;73.25,-29.23,;71.71,-29.25,;70.92,-27.92,;69.38,-27.94,;68.62,-29.27,;69.41,-30.6,;70.95,-30.59,;67.09,-29.29,;66.31,-27.95,;64.77,-27.97,;64.01,-29.3,;64.79,-30.63,;66.33,-30.62,;62.47,-29.31,;61.56,-28.07,;60.09,-28.55,;58.75,-27.79,;57.42,-28.56,;56.09,-27.79,;57.42,-30.1,;58.76,-30.88,;60.1,-30.1,;61.57,-30.56,)| Show InChI InChI=1S/C22H17ClN4O3/c23-15-3-5-18-19(9-15)27-21(26-18)13-1-4-17(24-11-13)12-2-6-20(25-10-12)30-16-7-14(8-16)22(28)29/h1-6,9-11,14,16H,7-8H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523589 (CHEMBL4524803) Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)N1CCC(CC1)O[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:24.27,wD:27.31,(2.14,-18.07,;3.48,-17.3,;4.81,-18.07,;4.81,-19.61,;6.14,-20.38,;7.48,-19.61,;8.95,-20.09,;9.86,-18.84,;8.95,-17.58,;7.48,-18.06,;6.14,-17.3,;11.39,-18.83,;12.16,-17.5,;13.69,-17.5,;14.47,-18.84,;13.7,-20.17,;12.16,-20.17,;16,-18.84,;16.76,-20.18,;18.29,-20.18,;19.07,-18.85,;18.3,-17.52,;16.76,-17.51,;20.61,-18.86,;21.37,-20.2,;22.91,-20.19,;23.67,-21.54,;22.89,-22.87,;23.65,-24.21,;22.87,-25.53,;23.62,-26.87,;21.33,-25.52,;21.35,-22.85,;20.59,-21.52,)| Show InChI InChI=1S/C25H31N5O4/c1-33-22-9-7-20-25(28-22)29-24(27-20)17-4-8-21(26-15-17)30-12-10-19(11-13-30)34-18-5-2-16(3-6-18)14-23(31)32/h4,7-9,15-16,18-19H,2-3,5-6,10-14H2,1H3,(H,31,32)(H,27,28,29)/t16-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523598 (CHEMBL4530290) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(46.61,-28,;45.84,-26.67,;44.3,-26.66,;46.62,-25.34,;45.85,-24,;46.62,-22.67,;45.85,-21.33,;44.32,-21.34,;43.54,-22.67,;44.31,-23.99,;43.55,-20.01,;42.01,-20.01,;41.23,-18.67,;39.69,-18.68,;38.93,-20.01,;39.7,-21.34,;41.23,-21.34,;37.39,-20.01,;36.61,-18.67,;35.08,-18.67,;34.31,-20,;35.08,-21.34,;36.62,-21.34,;32.78,-20,;31.87,-18.75,;30.4,-19.23,;29.06,-18.46,;27.73,-19.23,;27.73,-20.78,;29.07,-21.55,;30.4,-20.77,;31.87,-21.25,;26.4,-18.47,;26.4,-16.93,;25.07,-19.24,;25.06,-17.69,)| Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33)/t14-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523627 (CHEMBL4469452) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:7.10,wD:4.3,(22.74,-13.34,;21.99,-12,;20.45,-11.99,;22.77,-10.67,;22.01,-9.33,;22.79,-8,;22.03,-6.66,;20.49,-6.66,;19.71,-7.98,;20.47,-9.32,;19.73,-5.33,;18.19,-5.32,;17.41,-6.65,;15.88,-6.64,;15.13,-5.31,;15.88,-3.98,;17.42,-3.99,;13.59,-5.31,;12.81,-3.97,;11.28,-3.97,;10.51,-5.3,;11.28,-6.64,;12.82,-6.64,;8.98,-5.3,;8.07,-4.05,;6.6,-4.53,;5.26,-3.76,;3.93,-4.53,;3.93,-6.08,;5.26,-6.85,;6.6,-6.07,;8.07,-6.55,)| Show InChI InChI=1S/C25H30N4O3/c30-24(31)15-17-5-8-19(9-6-17)32-20-11-13-29(14-12-20)23-10-7-18(16-26-23)25-27-21-3-1-2-4-22(21)28-25/h1-4,7,10,16-17,19-20H,5-6,8-9,11-15H2,(H,27,28)(H,30,31)/t17-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523605 (CHEMBL4443023) Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wD:7.10,4.3,(24.54,-28.12,;23.77,-26.78,;22.23,-26.78,;24.54,-25.45,;23.77,-24.12,;24.55,-22.78,;23.78,-21.44,;22.24,-21.46,;21.47,-22.78,;22.23,-24.11,;21.47,-20.12,;19.93,-20.13,;19.15,-18.79,;17.62,-18.79,;16.85,-20.12,;17.62,-21.46,;19.16,-21.46,;15.32,-20.12,;14.54,-18.78,;13,-18.79,;12.24,-20.12,;13,-21.45,;14.54,-21.46,;10.7,-20.12,;9.8,-18.87,;8.32,-19.34,;6.99,-18.58,;5.66,-19.35,;5.66,-20.9,;6.99,-21.67,;8.32,-20.89,;9.79,-21.37,)| Show InChI InChI=1S/C25H24N4O3/c30-24(31)13-16-5-9-19(10-6-16)32-23-12-8-17(14-27-23)20-11-7-18(15-26-20)25-28-21-3-1-2-4-22(21)29-25/h1-4,7-8,11-12,14-16,19H,5-6,9-10,13H2,(H,28,29)(H,30,31)/t16-,19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523595 (CHEMBL4453213) Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@@H]2CC[C@H](CC(O)=O)CC2)nc1 |r,wD:22.24,25.28,(51.11,-19.76,;52.44,-18.99,;53.78,-19.76,;53.78,-21.31,;55.11,-22.08,;56.44,-21.3,;57.91,-21.78,;58.82,-20.53,;57.91,-19.28,;56.44,-19.75,;55.11,-18.99,;60.35,-20.53,;61.12,-19.2,;62.66,-19.19,;63.43,-20.53,;62.66,-21.87,;61.12,-21.86,;64.97,-20.53,;65.73,-19.2,;67.27,-19.2,;68.05,-20.54,;69.59,-20.53,;70.36,-21.87,;71.89,-21.85,;72.66,-23.19,;71.89,-24.53,;72.66,-25.86,;71.88,-27.19,;72.65,-28.53,;70.34,-27.19,;70.35,-24.52,;69.58,-23.19,;67.28,-21.87,;65.74,-21.87,)| Show InChI InChI=1S/C25H25N5O4/c1-33-22-11-9-20-25(29-22)30-24(28-20)17-4-8-19(26-14-17)16-5-10-21(27-13-16)34-18-6-2-15(3-7-18)12-23(31)32/h4-5,8-11,13-15,18H,2-3,6-7,12H2,1H3,(H,31,32)(H,28,29,30)/t15-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523592 (CHEMBL4592655) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:7.10,wD:4.3,(48.64,-55.71,;47.89,-54.37,;46.35,-54.36,;48.67,-53.04,;47.91,-51.7,;48.69,-50.37,;47.93,-49.03,;46.39,-49.04,;45.61,-50.36,;46.37,-51.69,;45.63,-47.7,;44.09,-47.69,;43.31,-49.02,;41.78,-49.01,;41.02,-47.68,;41.78,-46.35,;43.32,-46.36,;39.49,-47.68,;38.71,-46.34,;37.18,-46.34,;36.41,-47.67,;37.18,-49.01,;38.72,-49.01,;34.88,-47.67,;33.97,-46.42,;32.5,-46.9,;31.16,-46.14,;29.83,-46.91,;28.5,-46.14,;29.83,-48.45,;28.5,-49.22,;31.16,-49.22,;32.5,-48.44,;33.97,-48.92,)| Show InChI InChI=1S/C25H28F2N4O3/c26-19-12-21-22(13-20(19)27)30-25(29-21)16-3-6-23(28-14-16)31-9-7-18(8-10-31)34-17-4-1-15(2-5-17)11-24(32)33/h3,6,12-15,17-18H,1-2,4-5,7-11H2,(H,29,30)(H,32,33)/t15-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523616 (CHEMBL4453600) Show SMILES OC(=O)C1CC(C1)Nc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |(52.65,-10.72,;53.41,-9.38,;54.95,-9.36,;52.63,-8.05,;51.14,-7.66,;51.53,-6.17,;53.02,-6.56,;50.75,-4.85,;49.21,-4.86,;48.42,-3.53,;46.89,-3.55,;46.13,-4.88,;46.91,-6.21,;48.45,-6.2,;44.6,-4.89,;43.81,-3.56,;42.28,-3.58,;41.52,-4.91,;42.3,-6.24,;43.84,-6.23,;39.98,-4.92,;39.07,-3.68,;37.61,-4.16,;36.27,-3.4,;34.94,-4.17,;33.61,-3.4,;34.94,-5.71,;36.27,-6.48,;37.61,-5.7,;39.08,-6.17,)| Show InChI InChI=1S/C22H18ClN5O2/c23-15-3-5-18-19(9-15)28-21(27-18)13-1-4-17(24-11-13)12-2-6-20(25-10-12)26-16-7-14(8-16)22(29)30/h1-6,9-11,14,16H,7-8H2,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523599 (CHEMBL4542552) Show SMILES Cc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@@H]2CC[C@H](CC(O)=O)CC2)nc1 |r,wD:21.23,24.27,(4.56,-32.27,;5.89,-33.04,;5.89,-34.59,;7.22,-35.36,;8.56,-34.58,;10.03,-35.06,;10.94,-33.81,;10.03,-32.56,;8.56,-33.04,;7.22,-32.27,;12.47,-33.81,;13.23,-32.48,;14.77,-32.48,;15.55,-33.81,;14.77,-35.15,;13.24,-35.15,;17.08,-33.82,;17.85,-32.49,;19.38,-32.48,;20.16,-33.82,;21.7,-33.82,;22.47,-35.15,;24.01,-35.13,;24.78,-36.47,;24,-37.81,;24.77,-39.14,;24,-40.48,;24.77,-41.81,;22.46,-40.47,;22.46,-37.8,;21.7,-36.47,;19.39,-35.15,;17.85,-35.15,)| Show InChI InChI=1S/C25H25N5O3/c1-15-2-9-21-25(28-15)30-24(29-21)18-5-10-20(26-14-18)17-6-11-22(27-13-17)33-19-7-3-16(4-8-19)12-23(31)32/h2,5-6,9-11,13-14,16,19H,3-4,7-8,12H2,1H3,(H,31,32)(H,28,29,30)/t16-,19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50523590 (CHEMBL4456729) Show SMILES FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(nc1)C#N Show InChI InChI=1S/C20H11F3N4/c21-20(22,23)15-6-8-17-18(9-15)27-19(26-17)13-3-1-12(2-4-13)14-5-7-16(10-24)25-11-14/h1-9,11H,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 1380-1385 (2019) Article DOI: 10.1016/j.bmcl.2019.03.039 BindingDB Entry DOI: 10.7270/Q2348PSJ
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50364407 (CHEMBL1950444) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C29H31Cl2N5O2/c1-16(18-10-12-20(13-11-18)19-8-6-5-7-9-19)25(36-28(38)29(3,4)32)27(37)33-17(2)26-34-23-14-21(30)22(31)15-24(23)35-26/h5-17,25H,32H2,1-4H3,(H,33,37)(H,34,35)(H,36,38)/t16-,17-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 22: 1774-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.064 BindingDB Entry DOI: 10.7270/Q27H1K28
					More data for this Ligand-Target Pair

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