Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'borboa' and Initial = 'r'   

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))	BDBM50347943 (CHEMBL1800770) Show SMILES Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)C(C)(C)N)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H26FN5O/c1-15-4-10-18(11-5-15)26-21-20(16-6-8-17(24)9-7-16)27-19-14-28(12-13-29(19)21)22(30)23(2,3)25/h4-11,26H,12-14,25H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347944 (CHEMBL1800772) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23ClFN5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-7-16(24)8-4-14)20(29)26-17-9-5-15(23)6-10-17/h3-10,26H,11-13,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347945 (CHEMBL1800774) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347939 (CHEMBL1800137) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347939 (CHEMBL1800137) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in CHO cells by patch clamp assay				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347947 (CHEMBL1800776) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22ClF2N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(24)6-4-13)20(30)27-15-7-8-16(23)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347941 (CHEMBL1800768) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-10-11-29-18(13-28)27-19(14-4-3-5-16(24)12-14)20(29)26-17-8-6-15(23)7-9-17/h3-9,12,26H,10-11,13,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50388532 (CHEMBL2058833) Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3	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	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50388532 (CHEMBL2058833) Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3	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	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50388532 (CHEMBL2058833) Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3	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	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50388532 (CHEMBL2058833) Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3	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	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50388532 (CHEMBL2058833) Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50347945 (CHEMBL1800774) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2D6				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50347945 (CHEMBL1800774) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 3A4				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50347939 (CHEMBL1800137) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 3A4				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50347939 (CHEMBL1800137) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 1A2				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50347945 (CHEMBL1800774) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 1A2				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50347945 (CHEMBL1800774) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2C19				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50347939 (CHEMBL1800137) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2D6				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50347945 (CHEMBL1800774) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2C9				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50347939 (CHEMBL1800137) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2C9				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50347939 (CHEMBL1800137) Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2C19				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50347948 (CHEMBL601821 | GNF-PF-5069) Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2C19				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50347948 (CHEMBL601821 | GNF-PF-5069) Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2C9				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50347948 (CHEMBL601821 | GNF-PF-5069) Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 2D6				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50347948 (CHEMBL601821 | GNF-PF-5069) Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 1A2				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50347948 (CHEMBL601821 | GNF-PF-5069) Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP 3A4				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347942 (CHEMBL1800769) Show SMILES Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)CN)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H22FN5O/c1-14-2-8-17(9-3-14)24-21-20(15-4-6-16(22)7-5-15)25-18-13-26(19(28)12-23)10-11-27(18)21/h2-9,24H,10-13,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388532 (CHEMBL2058833) Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3	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	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in CHO cells by patch clamp assay				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388536 (CHEMBL2058831) Show SMILES CC(C)[C@H]1N(CCn2c(Nc3ccc(F)c(Cl)c3)c(nc12)-c1ccc(F)cc1)C(=O)CN |r| Show InChI InChI=1S/C23H24ClF2N5O/c1-13(2)21-23-29-20(14-3-5-15(25)6-4-14)22(28-16-7-8-18(26)17(24)11-16)31(23)10-9-30(21)19(32)12-27/h3-8,11,13,21,28H,9-10,12,27H2,1-2H3/t21-/m1/s1	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	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in CHO cells by patch clamp assay				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347948 (CHEMBL601821 | GNF-PF-5069) Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347946 (CHEMBL1800775) Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18ClF2N5O/c21-15-6-5-14(9-16(15)23)25-20-19(12-1-3-13(22)4-2-12)26-17-11-27(18(29)10-24)7-8-28(17)20/h1-6,9,25H,7-8,10-11,24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388534 (CHEMBL2058837) Show SMILES CC(C)(N)C(=O)N1CCn2c(Nc3ccc(F)cc3)c(nc2C1(C)C)-c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2N5O/c1-23(2,27)22(32)31-14-13-30-20(28-18-11-9-17(26)10-12-18)19(29-21(30)24(31,3)4)15-5-7-16(25)8-6-15/h5-12,28H,13-14,27H2,1-4H3	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	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in CHO cells by patch clamp assay				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388533 (CHEMBL2058838) Show SMILES Cc1ccc(Nc2c(nc3n2CCN(C(=O)C(C)(C)N)C3(C)C)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H30FN5O/c1-16-6-12-19(13-7-16)28-21-20(17-8-10-18(26)11-9-17)29-22-25(4,5)31(15-14-30(21)22)23(32)24(2,3)27/h6-13,28H,14-15,27H2,1-5H3	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in CHO cells by patch clamp assay				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347940 (CHEMBL1800831) Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1 Show InChI InChI=1S/C20H19F2N5O/c21-14-4-6-16(7-5-14)24-20-19(13-2-1-3-15(22)10-13)25-17-12-26(18(28)11-23)8-9-27(17)20/h1-7,10,24H,8-9,11-12,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch assay				J Med Chem 54: 5116-30 (2011) Article DOI: 10.1021/jm2003359 BindingDB Entry DOI: 10.7270/Q2FX79SN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388535 (CHEMBL2057225) Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)c(F)c3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H22F3N5O/c1-22(2)21-28-19(13-3-5-14(23)6-4-13)20(27-15-7-8-16(24)17(25)11-15)29(21)9-10-30(22)18(31)12-26/h3-8,11,27H,9-10,12,26H2,1-2H3	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in CHO cells by patch clamp assay				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388531 (CHEMBL2058843) Show SMILES CC1(C)NC(=O)Cn2c(Nc3ccc(F)c(Cl)c3)c(nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17ClF2N4O/c1-20(2)19-25-17(11-3-5-12(22)6-4-11)18(27(19)10-16(28)26-20)24-13-7-8-15(23)14(21)9-13/h3-9,24H,10H2,1-2H3,(H,26,28)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in CHO cells by patch clamp assay				J Med Chem 55: 4244-73 (2012) Article DOI: 10.1021/jm300041e BindingDB Entry DOI: 10.7270/Q21V5G1P
					More data for this Ligand-Target Pair