Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'aichele' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464803 (CHEMBL4292897) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccccc2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C27H32N2O4/c1-2-3-4-5-6-7-8-9-13-16-19-23(30)25(32)22-21(18-14-11-10-12-15-18)20(17-28)27(29)33-26(22)24(19)31/h10-12,14-15,21,30H,2-9,13,16,29H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description ATP-competitive inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins in pre...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50379211 (CHEMBL2011288) Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-9-10-22-21(13-20)18(15-31-22)11-12-30-28(33)26-14-23(32)27-24(3-2-4-25(27)36-26)35-16-17-5-7-19(29)8-6-17/h2-10,13-15,31H,11-12,16H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029743 (CHEMBL3353416) Show SMILES COc1ccccc1CCn1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C24H21NO3/c1-28-20-12-5-2-7-15(20)13-14-25-18-10-6-11-19(26)21(18)22-23(25)16-8-3-4-9-17(16)24(22)27/h2-5,7-9,12H,6,10-11,13-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464805 (CHEMBL4283573) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccc(cc2)[N+]([O-])=O)C1=O |c:11,t:16,20| Show InChI InChI=1S/C27H31N3O6/c1-2-3-4-5-6-7-8-9-10-11-19-23(31)25(33)22-21(17-12-14-18(15-13-17)30(34)35)20(16-28)27(29)36-26(22)24(19)32/h12-15,21,31H,2-11,29H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029739 (CHEMBL3353414) Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2CCc2ccccc2)C(=O)C1 Show InChI InChI=1S/C24H21NO2/c1-15-13-19-21(20(26)14-15)22-23(17-9-5-6-10-18(17)24(22)27)25(19)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029744 (CHEMBL3353417) Show SMILES COc1cccc(CCn2c3CCCC(=O)c3c3C(=O)c4ccccc4-c23)c1 Show InChI InChI=1S/C24H21NO3/c1-28-16-7-4-6-15(14-16)12-13-25-19-10-5-11-20(26)21(19)22-23(25)17-8-2-3-9-18(17)24(22)27/h2-4,6-9,14H,5,10-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029725 (CHEMBL1957192) Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2CCc1ccccc1 Show InChI InChI=1S/C23H19NO2/c25-19-12-6-11-18-20(19)21-22(16-9-4-5-10-17(16)23(21)26)24(18)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029742 (CHEMBL3353415) Show SMILES O=C1c2ccccc2-c2c1c1c(CC(CC1=O)c1ccccc1)n2CCc1ccccc1 Show InChI InChI=1S/C29H23NO2/c31-25-18-21(20-11-5-2-6-12-20)17-24-26(25)27-28(22-13-7-8-14-23(22)29(27)32)30(24)16-15-19-9-3-1-4-10-19/h1-14,21H,15-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464803 (CHEMBL4292897) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccccc2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C27H32N2O4/c1-2-3-4-5-6-7-8-9-13-16-19-23(30)25(32)22-21(18-14-11-10-12-15-18)20(17-28)27(29)33-26(22)24(19)31/h10-12,14-15,21,30H,2-9,13,16,29H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM11318 (1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029900 (CHEMBL3353422) Show SMILES CC(C)n1c2CCC(Cc3ccccc3)(Cc3ccccc3)C(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C32H29NO2/c1-21(2)33-26-17-18-32(19-22-11-5-3-6-12-22,20-23-13-7-4-8-14-23)31(35)27(26)28-29(33)24-15-9-10-16-25(24)30(28)34/h3-16,21H,17-20H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029746 (CHEMBL3353418) Show SMILES COc1ccc(CCn2c3CCCC(=O)c3c3C(=O)c4ccccc4-c23)cc1 Show InChI InChI=1S/C24H21NO3/c1-28-16-11-9-15(10-12-16)13-14-25-19-7-4-8-20(26)21(19)22-23(25)17-5-2-3-6-18(17)24(22)27/h2-3,5-6,9-12H,4,7-8,13-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464813 (CHEMBL4282401) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccco2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C25H30N2O5/c1-2-3-4-5-6-7-8-9-10-12-16-21(28)23(30)20-19(18-13-11-14-31-18)17(15-26)25(27)32-24(20)22(16)29/h11,13-14,19,28H,2-10,12,27H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029730 (CHEMBL1957193) Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2CCCc1ccccc1 Show InChI InChI=1S/C24H21NO2/c26-20-14-6-13-19-21(20)22-23(17-11-4-5-12-18(17)24(22)27)25(19)15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464807 (CHEMBL4285050) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccc(OC)cc2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C28H34N2O5/c1-3-4-5-6-7-8-9-10-11-12-20-24(31)26(33)23-22(18-13-15-19(34-2)16-14-18)21(17-29)28(30)35-27(23)25(20)32/h13-16,22,31H,3-12,30H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464806 (CHEMBL4281220) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2cccc(c2)[N+]([O-])=O)C1=O |c:11,t:16,20| Show InChI InChI=1S/C27H31N3O6/c1-2-3-4-5-6-7-8-9-10-14-19-23(31)25(33)22-21(17-12-11-13-18(15-17)30(34)35)20(16-28)27(29)36-26(22)24(19)32/h11-13,15,21,31H,2-10,14,29H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464802 (CHEMBL4284969) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccc(Cl)cc2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C27H31ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-19-23(31)25(33)22-21(17-12-14-18(28)15-13-17)20(16-29)27(30)34-26(22)24(19)32/h12-15,21,31H,2-11,30H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029735 (CHEMBL1957202) Show SMILES O=C1c2ccccc2-c2c1c1c(CC(CC1=O)c1ccccc1)n2Cc1ccccc1 Show InChI InChI=1S/C28H21NO2/c30-24-16-20(19-11-5-2-6-12-19)15-23-25(24)26-27(21-13-7-8-14-22(21)28(26)31)29(23)17-18-9-3-1-4-10-18/h1-14,20H,15-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464804 (CHEMBL4288011) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2cccc(F)c2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C27H31FN2O4/c1-2-3-4-5-6-7-8-9-10-14-19-23(31)25(33)22-21(17-12-11-13-18(28)15-17)20(16-29)27(30)34-26(22)24(19)32/h11-13,15,21,31H,2-10,14,30H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	996	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha 3 (Homo sapiens)	BDBM50464802 (CHEMBL4284969) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccc(Cl)cc2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C27H31ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-19-23(31)25(33)22-21(17-12-14-18(28)15-13-17)20(16-29)27(30)34-26(22)24(19)32/h12-15,21,31H,2-11,30H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of CK2 (unknown origin)				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464812 (CHEMBL4284630) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccc(cc2)C(O)=O)C1=O |c:11,t:16,20| Show InChI InChI=1S/C28H32N2O6/c1-2-3-4-5-6-7-8-9-10-11-19-23(31)25(33)22-21(17-12-14-18(15-13-17)28(34)35)20(16-29)27(30)36-26(22)24(19)32/h12-15,21,31H,2-11,30H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464808 (CHEMBL4285807) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2cccnc2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C26H31N3O4/c1-2-3-4-5-6-7-8-9-10-13-18-22(30)24(32)21-20(17-12-11-14-29-16-17)19(15-27)26(28)33-25(21)23(18)31/h11-12,14,16,20,30H,2-10,13,28H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464809 (CHEMBL4293683) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccncc2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C26H31N3O4/c1-2-3-4-5-6-7-8-9-10-11-18-22(30)24(32)21-20(17-12-14-29-15-13-17)19(16-27)26(28)33-25(21)23(18)31/h12-15,20,30H,2-11,28H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029841 (CHEMBL3353420) Show SMILES [#6]-[#6](-[#6])-n1c2-[#6]-[#6]-[#6]-[#6](=O)-c2c2-[#6](=O)-c3cccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c3-c12 Show InChI InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)22-21(23(15)26)20-16(24(22)14(3)4)8-6-9-17(20)25/h5,7,10-11,14H,6,8-9,12H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464801 (CHEMBL4278548) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccc3OCOc3c2)C1=O |c:11,t:16,20| Show InChI InChI=1S/C28H32N2O6/c1-2-3-4-5-6-7-8-9-10-11-18-24(31)26(33)23-22(17-12-13-20-21(14-17)35-16-34-20)19(15-29)28(30)36-27(23)25(18)32/h12-14,22,31H,2-11,16,30H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464811 (CHEMBL4283510) Show SMILES CCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2c2ccc(cc2)[N+]([O-])=O)C1=O |c:8,t:13,17| Show InChI InChI=1S/C24H25N3O6/c1-2-3-4-5-6-7-8-16-20(28)22(30)19-18(14-9-11-15(12-10-14)27(31)32)17(13-25)24(26)33-23(19)21(16)29/h9-12,18,28H,2-8,26H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029749 (CHEMBL3353419) Show SMILES [#6]-[#6](-[#6])-n1c2-[#6]-[#6]-[#6]-[#6](=O)-c2c2-[#6](=O)-c3c(cccc3-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-c12 Show InChI InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)23(26)21-20-16(8-6-9-17(20)25)24(14(3)4)22(15)21/h5,7,10-11,14H,6,8-9,12H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM50464810 (CHEMBL4294089) Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2CCCCCC)C1=O |c:11,t:16,20| Show InChI InChI=1S/C27H40N2O4/c1-3-5-7-9-10-11-12-13-15-17-20-23(30)25(32)22-19(16-14-8-6-4-2)21(18-28)27(29)33-26(22)24(20)31/h19,30H,3-17,29H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) Curated by ChEMBL					Assay Description Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...				Eur J Med Chem 144: 410-423 (2018) Article DOI: 10.1016/j.ejmech.2017.12.058 BindingDB Entry DOI: 10.7270/Q2V69N89
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029731 (CHEMBL3353413) Show SMILES CC(C)n1c2CC(C)CC(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C19H19NO2/c1-10(2)20-14-8-11(3)9-15(21)16(14)17-18(20)12-6-4-5-7-13(12)19(17)22/h4-7,10-11H,8-9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029733 (CHEMBL1957203) Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2Cc2ccccc2)C(=O)C1 Show InChI InChI=1S/C23H19NO2/c1-14-11-18-20(19(25)12-14)21-22(16-9-5-6-10-17(16)23(21)26)24(18)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029898 (CHEMBL3353421) Show SMILES CC(C)n1c2CCC(C)C(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C19H19NO2/c1-10(2)20-14-9-8-11(3)18(21)15(14)16-17(20)12-6-4-5-7-13(12)19(16)22/h4-7,10-11H,8-9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029690 (CHEMBL1957191) Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2Cc1ccccc1 Show InChI InChI=1S/C22H17NO2/c24-18-12-6-11-17-19(18)20-21(15-9-4-5-10-16(15)22(20)25)23(17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50366114 (CHEMBL1957190) Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair