Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50013310   

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
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128973 (2-Dimethylamino-1H-pyrrolo[3,2-b]pyridine-3-carbon...) Show SMILES CN(C)c1[nH]c2cccnc2c1C#N Show InChI InChI=1S/C10H10N4/c1-14(2)10-7(6-11)9-8(13-10)4-3-5-12-9/h3-5,13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128974 (2-Azepan-1-yl-1H-pyrrolo[3,2-b]pyridine-3-carbonit...) Show SMILES N#Cc1c([nH]c2cccnc12)N1CCCCCC1 Show InChI InChI=1S/C14H16N4/c15-10-11-13-12(6-5-7-16-13)17-14(11)18-8-3-1-2-4-9-18/h5-7,17H,1-4,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128976 (2-(4-Hydroxy-piperidin-1-yl)-1H-pyrrolo[3,2-b]pyri...) Show SMILES OC1CCN(CC1)c1[nH]c2cccnc2c1C#N Show InChI InChI=1S/C13H14N4O/c14-8-10-12-11(2-1-5-15-12)16-13(10)17-6-3-9(18)4-7-17/h1-2,5,9,16,18H,3-4,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128977 (2-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile...) Show SMILES O=c1[nH]c2ccc[nH]c2c1C#N Show InChI InChI=1S/C8H5N3O/c9-4-5-7-6(11-8(5)12)2-1-3-10-7/h1-3,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128979 (2-(3-Aza-bicyclo[3.2.2]non-3-yl)-1H-pyrrolo[3,2-b]...) Show SMILES N#Cc1c([nH]c2cccnc12)N1CC2CCC(CC2)C1 |(7.82,.09,;7.33,-1.38,;6.86,-2.85,;7.77,-4.11,;6.86,-5.34,;5.4,-4.88,;4.07,-5.65,;2.73,-4.88,;2.73,-3.34,;4.07,-2.57,;5.4,-3.34,;9.31,-4.18,;10.13,-2.89,;11.67,-2.71,;12.75,-3.81,;12.6,-5.34,;11.29,-6.16,;10.48,-4.88,;10.53,-3.72,;9.82,-5.65,)| Show InChI InChI=1S/C16H18N4/c17-8-13-15-14(2-1-7-18-15)19-16(13)20-9-11-3-4-12(10-20)6-5-11/h1-2,7,11-12,19H,3-6,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.43E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128985 (2-Morpholin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carbo...) Show SMILES N#Cc1c([nH]c2cccnc12)N1CCOCC1 Show InChI InChI=1S/C12H12N4O/c13-8-9-11-10(2-1-3-14-11)15-12(9)16-4-6-17-7-5-16/h1-3,15H,4-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128980 (2-Pyrrolidin-1-yl-1H-pyrrolo[3,2-b]pyridine-3-carb...) Show SMILES N#Cc1c([nH]c2cccnc12)N1CCCC1 Show InChI InChI=1S/C12H12N4/c13-8-9-11-10(4-3-5-14-11)15-12(9)16-6-1-2-7-16/h3-5,15H,1-2,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.12E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128981 (1-(3-Cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)-piperidi...) Show SMILES COC(=O)C1CCN(CC1)c1[nH]c2cccnc2c1C#N Show InChI InChI=1S/C15H16N4O2/c1-21-15(20)10-4-7-19(8-5-10)14-11(9-16)13-12(18-14)3-2-6-17-13/h2-3,6,10,18H,4-5,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128982 (2-Diethylamino-1H-pyrrolo[3,2-b]pyridine-3-carboni...) Show SMILES CCN(CC)c1[nH]c2cccnc2c1C#N Show InChI InChI=1S/C12H14N4/c1-3-16(4-2)12-9(8-13)11-10(15-12)6-5-7-14-11/h5-7,15H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.94E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128975 (2-((S)-3-Hydroxy-piperidin-1-yl)-1H-pyrrolo[3,2-b]...) Show SMILES O[C@H]1CCCN(C1)c1[nH]c2cccnc2c1C#N Show InChI InChI=1S/C13H14N4O/c14-7-10-12-11(4-1-5-15-12)16-13(10)17-6-2-3-9(18)8-17/h1,4-5,9,16,18H,2-3,6,8H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128984 (2-[(2-Dimethylamino-ethyl)-methyl-amino]-1H-pyrrol...) Show SMILES CN(C)CCN(C)c1[nH]c2cccnc2c1C#N Show InChI InChI=1S/C13H17N5/c1-17(2)7-8-18(3)13-10(9-14)12-11(16-13)5-4-6-15-12/h4-6,16H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.75E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1 (Homo sapiens (Human))	BDBM50128978 (2-Imidazol-1-yl-1H-pyrrolo[3,2-b]pyridine-3-carbon...) Show SMILES N#Cc1c([nH]c2cccnc12)-n1ccnc1 Show InChI InChI=1S/C11H7N5/c12-6-8-10-9(2-1-3-14-10)15-11(8)16-5-4-13-7-16/h1-5,7,15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	5.86E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description [86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 microM				Bioorg Med Chem Lett 13: 2003-7 (2003) BindingDB Entry DOI: 10.7270/Q2QN6647
					More data for this Ligand-Target Pair