Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'georg' and Initial = 'gi'   

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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50355500 (CHEMBL1908394 | US9695172, GSK461364) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PLK1 (1 to 603 residues) using casein as substrate preincubated for 60 mins followed by polo box peptide ...				J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239566 (CHEMBL4103140) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5| Show InChI InChI=1S/C27H28N4O4/c1-4-31-24-23(25(32)29-27(31)34)21(18-9-5-16(2)6-10-18)22-20(28-24)15-30(26(22)33)14-13-17-7-11-19(35-3)12-8-17/h5-12,21,28H,4,13-15H2,1-3H3,(H,29,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239567 (CHEMBL4085204) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5| Show InChI InChI=1S/C26H26N4O4/c1-3-30-23-22(24(32)28-26(30)34)20(17-8-4-15(2)5-9-17)21-19(27-23)14-29(25(21)33)13-12-16-6-10-18(31)11-7-16/h4-11,20,27,31H,3,12-14H2,1-2H3,(H,28,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239568 (CHEMBL4092949) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5| Show InChI InChI=1S/C26H26N4O3/c1-3-30-23-22(24(31)28-26(30)33)20(18-11-9-16(2)10-12-18)21-19(27-23)15-29(25(21)32)14-13-17-7-5-4-6-8-17/h4-12,20,27H,3,13-15H2,1-2H3,(H,28,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239586 (CHEMBL4072799) Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(F)(F)F |t:9| Show InChI InChI=1S/C18H14F3N3O4/c1-8-2-4-9(5-3-8)11-12-10(6-28-16(12)26)22-14-13(11)15(25)23-17(27)24(14)7-18(19,20)21/h2-5,11,22H,6-7H2,1H3,(H,23,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239565 (CHEMBL4065286) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5| Show InChI InChI=1S/C25H24N4O3/c1-3-29-22-21(23(30)27-25(29)32)19(17-11-9-15(2)10-12-17)20-18(26-22)14-28(24(20)31)13-16-7-5-4-6-8-16/h4-12,19,26H,3,13-14H2,1-2H3,(H,27,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239567 (CHEMBL4085204) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5| Show InChI InChI=1S/C26H26N4O4/c1-3-30-23-22(24(32)28-26(30)34)20(17-8-4-15(2)5-9-17)21-19(27-23)14-29(25(21)33)13-12-16-6-10-18(31)11-7-16/h4-11,20,27,31H,3,12-14H2,1-2H3,(H,28,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239566 (CHEMBL4103140) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5| Show InChI InChI=1S/C27H28N4O4/c1-4-31-24-23(25(32)29-27(31)34)21(18-9-5-16(2)6-10-18)22-20(28-24)15-30(26(22)33)14-13-17-7-11-19(35-3)12-8-17/h5-12,21,28H,4,13-15H2,1-3H3,(H,29,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239568 (CHEMBL4092949) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5| Show InChI InChI=1S/C26H26N4O3/c1-3-30-23-22(24(31)28-26(30)33)20(18-11-9-16(2)10-12-18)21-19(27-23)15-29(25(21)32)14-13-17-7-5-4-6-8-17/h4-12,20,27H,3,13-15H2,1-2H3,(H,28,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239565 (CHEMBL4065286) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5| Show InChI InChI=1S/C25H24N4O3/c1-3-29-22-21(23(30)27-25(29)32)19(17-11-9-15(2)10-12-17)20-18(26-22)14-28(24(20)31)13-16-7-5-4-6-8-16/h4-12,19,26H,3,13-14H2,1-2H3,(H,27,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239588 (CHEMBL4077905) Show SMILES CCn1c2NC3=C(C(c4ccc(Cl)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C17H14ClN3O4/c1-2-21-14-13(15(22)20-17(21)24)11(8-3-5-9(18)6-4-8)12-10(19-14)7-25-16(12)23/h3-6,11,19H,2,7H2,1H3,(H,20,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239585 (CHEMBL4094028) Show SMILES CCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C17H15N3O4/c1-2-20-14-13(15(21)19-17(20)23)11(9-6-4-3-5-7-9)12-10(18-14)8-24-16(12)22/h3-7,11,18H,2,8H2,1H3,(H,19,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239562 (CHEMBL4104179) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239562 (CHEMBL4104179) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239586 (CHEMBL4072799) Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(F)(F)F |t:9| Show InChI InChI=1S/C18H14F3N3O4/c1-8-2-4-9(5-3-8)11-12-10(6-28-16(12)26)22-14-13(11)15(25)23-17(27)24(14)7-18(19,20)21/h2-5,11,22H,6-7H2,1H3,(H,23,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239588 (CHEMBL4077905) Show SMILES CCn1c2NC3=C(C(c4ccc(Cl)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C17H14ClN3O4/c1-2-21-14-13(15(22)20-17(21)24)11(8-3-5-9(18)6-4-8)12-10(19-14)7-25-16(12)23/h3-6,11,19H,2,7H2,1H3,(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239574 (CHEMBL4094424) Show SMILES CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C18H14F3N3O4/c1-2-24-14-13(15(25)23-17(24)27)11(12-10(22-14)7-28-16(12)26)8-3-5-9(6-4-8)18(19,20)21/h3-6,11,22H,2,7H2,1H3,(H,23,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239571 (CHEMBL4088746) Show SMILES CCCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:6| Show InChI InChI=1S/C18H17N3O4/c1-2-8-21-15-14(16(22)20-18(21)24)12(10-6-4-3-5-7-10)13-11(19-15)9-25-17(13)23/h3-7,12,19H,2,8-9H2,1H3,(H,20,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239585 (CHEMBL4094028) Show SMILES CCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C17H15N3O4/c1-2-20-14-13(15(21)19-17(20)23)11(9-6-4-3-5-7-9)12-10(18-14)8-24-16(12)22/h3-7,11,18H,2,8H2,1H3,(H,19,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239571 (CHEMBL4088746) Show SMILES CCCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:6| Show InChI InChI=1S/C18H17N3O4/c1-2-8-21-15-14(16(22)20-18(21)24)12(10-6-4-3-5-7-10)13-11(19-15)9-25-17(13)23/h3-7,12,19H,2,8-9H2,1H3,(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239577 (CHEMBL4064204) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(C)C3 |c:5| Show InChI InChI=1S/C19H20N4O3/c1-4-23-16-15(17(24)21-19(23)26)13(11-7-5-10(2)6-8-11)14-12(20-16)9-22(3)18(14)25/h5-8,13,20H,4,9H2,1-3H3,(H,21,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239574 (CHEMBL4094424) Show SMILES CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C18H14F3N3O4/c1-2-24-14-13(15(25)23-17(24)27)11(12-10(22-14)7-28-16(12)26)8-3-5-9(6-4-8)18(19,20)21/h3-6,11,22H,2,7H2,1H3,(H,23,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Affinity constant of compound was evaluated in human brain				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239577 (CHEMBL4064204) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(C)C3 |c:5| Show InChI InChI=1S/C19H20N4O3/c1-4-23-16-15(17(24)21-19(23)26)13(11-7-5-10(2)6-8-11)14-12(20-16)9-22(3)18(14)25/h5-8,13,20H,4,9H2,1-3H3,(H,21,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239576 (CHEMBL4093510) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)CC3 |c:5| Show InChI InChI=1S/C19H19N3O3/c1-3-22-17-16(18(24)21-19(22)25)14(11-6-4-10(2)5-7-11)15-12(20-17)8-9-13(15)23/h4-7,14,20H,3,8-9H2,1-2H3,(H,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory effect on human lymphoblast (Molt/4F) thymidylate synthase				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239564 (CHEMBL4089152) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CC=C)C3 |c:5| Show InChI InChI=1S/C21H22N4O3/c1-4-10-24-11-14-16(20(24)27)15(13-8-6-12(3)7-9-13)17-18(22-14)25(5-2)21(28)23-19(17)26/h4,6-9,15,22H,1,5,10-11H2,2-3H3,(H,23,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239576 (CHEMBL4093510) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)CC3 |c:5| Show InChI InChI=1S/C19H19N3O3/c1-3-22-17-16(18(24)21-19(22)25)14(11-6-4-10(2)5-7-11)15-12(20-17)8-9-13(15)23/h4-7,14,20H,3,8-9H2,1-2H3,(H,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239570 (CHEMBL4066490) Show SMILES Cn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:4| Show InChI InChI=1S/C16H13N3O4/c1-19-13-12(14(20)18-16(19)22)10(8-5-3-2-4-6-8)11-9(17-13)7-23-15(11)21/h2-6,10,17H,7H2,1H3,(H,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239575 (CHEMBL4066935) Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9| Show InChI InChI=1S/C19H17N3O4/c1-9-2-4-10(5-3-9)13-14-12(8-26-18(14)24)20-16-15(13)17(23)21-19(25)22(16)11-6-7-11/h2-5,11,13,20H,6-8H2,1H3,(H,21,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239587 (CHEMBL4067951) Show SMILES CCn1c2nc3COC(=O)c3c(-c3ccc(C)cc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C18H15N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7H,3,8H2,1-2H3,(H,20,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory effect on murine leukemia (L1210) thymidylate synthase				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239575 (CHEMBL4066935) Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9| Show InChI InChI=1S/C19H17N3O4/c1-9-2-4-10(5-3-9)13-14-12(8-26-18(14)24)20-16-15(13)17(23)21-19(25)22(16)11-6-7-11/h2-5,11,13,20H,6-8H2,1H3,(H,21,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239587 (CHEMBL4067951) Show SMILES CCn1c2nc3COC(=O)c3c(-c3ccc(C)cc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C18H15N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7H,3,8H2,1-2H3,(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239573 (CHEMBL4102160) Show SMILES COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:10| Show InChI InChI=1S/C18H17N3O5/c1-20-15-14(16(22)21(2)18(20)24)12(9-4-6-10(25-3)7-5-9)13-11(19-15)8-26-17(13)23/h4-7,12,19H,8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239572 (CHEMBL4060512) Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:9| Show InChI InChI=1S/C18H17N3O4/c1-9-4-6-10(7-5-9)12-13-11(8-25-17(13)23)19-15-14(12)16(22)21(3)18(24)20(15)2/h4-7,12,19H,8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50239578 (CHEMBL4085767) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)n(C)c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C19H19N3O4/c1-4-22-16-15(17(23)21(3)19(22)25)13(11-7-5-10(2)6-8-11)14-12(20-16)9-26-18(14)24/h5-8,13,20H,4,9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory effect on Lactobacillus casei thymidylate synthase				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239569 (CHEMBL4086263) Show SMILES COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C |t:10| Show InChI InChI=1S/C17H15N3O5/c1-20-14-13(15(21)19-17(20)23)11(8-3-5-9(24-2)6-4-8)12-10(18-14)7-25-16(12)22/h3-6,11,18H,7H2,1-2H3,(H,19,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239578 (CHEMBL4085767) Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)n(C)c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C19H19N3O4/c1-4-22-16-15(17(23)21(3)19(22)25)13(11-7-5-10(2)6-8-11)14-12(20-16)9-26-18(14)24/h5-8,13,20H,4,9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255109 (CHEMBL4081196) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1 |r| Show InChI InChI=1S/C28H39N3O6/c1-25-13-22(34)24-20(7-9-26(36)12-18(33)11-23(35)27(24,26)16-32)28(25,37)10-8-19(25)21-15-31(30-29-21)14-17-5-3-2-4-6-17/h2-6,15,18-20,22-24,32-37H,7-14,16H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255111 (CHEMBL4092961) Show SMILES [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@@H](CO)CC[C@]45OCOC)OCOC)[C@@]13COC(C)(C)O2)OCOC |r| Show InChI InChI=1S/C29H50O10/c1-25(2)37-15-28-23(39-25)11-20(35-16-32-4)12-27(28,31)9-8-21-24(28)22(36-17-33-5)13-26(3)19(14-30)7-10-29(21,26)38-18-34-6/h19-24,30-31H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255122 (CHEMBL4059538) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@]([H])(O[C@H]1C[C@@]3([H])OC(C)(C)OC[C@]33[C@@]4([H])[C@@H](C[C@]5(C)[C@@H](CO)CC[C@]5(O)[C@]4([H])CC[C@]3(O)C1)OCOC)O[C@@H](C)[C@@H]2OCOC |r| Show InChI InChI=1S/C36H60O13/c1-20-27(43-19-41-8)28-29(49-32(4,5)48-28)30(45-20)46-22-13-25-35(17-44-31(2,3)47-25)26-23(10-11-34(35,38)14-22)36(39)12-9-21(16-37)33(36,6)15-24(26)42-18-40-7/h20-30,37-39H,9-19H2,1-8H3/t20-,21+,22-,23+,24+,25+,26+,27-,28+,29+,30-,33+,34-,35+,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate a...				J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK5/P25 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured afte...				J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin A1 (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255138 (CHEMBL4066361) Show SMILES [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@H](CC[C@]45OCOC)\C=N\O)OCOC)[C@@]13COC(C)(C)O2)OCOC |r| Show InChI InChI=1S/C29H49NO10/c1-25(2)38-15-28-23(40-25)11-20(36-16-33-4)12-27(28,31)9-8-21-24(28)22(37-17-34-5)13-26(3)19(14-30-32)7-10-29(21,26)39-18-35-6/h14,19-24,31-32H,7-13,15-18H2,1-6H3/b30-14+/t19-,20+,21-,22-,23-,24-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Cyclin-O (Homo sapiens)	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin-O (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50433369 (CHEMBL2377825) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK5/P25 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured afte...				J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin A (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured...				J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-3 (Rattus norvegicus)	BDBM50286739 (4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33| Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta3 expressed in baculovirus infected Sf9 cell membranes using [gamma-32P]ATP as substrate prein...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50563174 (CHEMBL1708376) Show SMILES Cc1nn(-c2nccs2)c2C(Br)C(C)(C)CC(=O)c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rattus norvegicus)	BDBM50255120 (CHEBI:38178 | STROPHANTHIDIN) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1 |r,t:29| Show InChI InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 306 total )  |  Next  |  Last  >>

Jump to: