Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'sindac' and Initial = 'j'   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525013 (CHEMBL4476440 | US11401286, Example 81) Show SMILES CCc1nc(Nc2ccc(CCCO)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H21ClN4O/c1-2-18-23-19(15-6-3-7-16(21)13-15)25-20(24-18)22-17-10-8-14(9-11-17)5-4-12-26/h3,6-11,13,26H,2,4-5,12H2,1H3,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352310 (CHEMBL1822637) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H34N8O3S/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)39-21-9-7-18(8-10-21)28-24(37)15-34-14-20(13-19(34)16-36)38-27(2,3)4/h5-12,19-20,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352329 (CHEMBL1822647) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H32N8O3S/c1-16-12-22(31-30-16)28-24-19-6-5-11-34(19)32-25(29-24)38-18-9-7-17(8-10-18)27-23(36)15-33-13-20(35)21(14-33)37-26(2,3)4/h5-12,20-21,35H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352324 (CHEMBL1822652) Show SMILES CC(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C25H30N8O3S/c1-15(2)36-21-13-32(12-20(21)34)14-23(35)26-17-6-8-18(9-7-17)37-25-28-24(19-5-4-10-33(19)31-25)27-22-11-16(3)29-30-22/h4-11,15,20-21,34H,12-14H2,1-3H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352323 (CHEMBL1822653) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H30N8O3S/c1-16-11-23(31-30-16)28-25-20-3-2-10-34(20)32-26(29-25)38-19-8-6-18(7-9-19)27-24(36)14-33-12-21(35)22(13-33)37-15-17-4-5-17/h2-3,6-11,17,21-22,35H,4-5,12-15H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352322 (CHEMBL1822654) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H32N8O3S/c1-17-13-24(32-31-17)29-26-21-7-4-12-35(21)33-27(30-26)39-20-10-8-18(9-11-20)28-25(37)16-34-14-22(36)23(15-34)38-19-5-2-3-6-19/h4,7-13,19,22-23,36H,2-3,5-6,14-16H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50248919 ((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...) Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r| Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50524997 (CHEMBL4570605 | US11401286, Example 58) Show SMILES CCc1nc(Nc2ccc(CCO)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN4O/c1-2-17-22-18(14-4-3-5-15(20)12-14)24-19(23-17)21-16-8-6-13(7-9-16)10-11-25/h3-9,12,25H,2,10-11H2,1H3,(H,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50352327 (CHEMBL1822649) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C(F)(F)F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H29F3N8O3S/c1-15-11-21(34-33-15)31-23-18-5-4-10-37(18)35-24(32-23)41-17-8-6-16(7-9-17)30-22(39)14-36-12-19(38)20(13-36)40-25(2,3)26(27,28)29/h4-11,19-20,38H,12-14H2,1-3H3,(H,30,39)(H2,31,32,33,34,35)/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352321 (CHEMBL1822655) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C(C4)N=O)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C26H31N9O3S/c1-16-12-22(31-30-16)28-24-20-6-5-11-35(20)32-25(29-24)39-18-9-7-17(8-10-18)27-23(36)15-34-13-19(33-37)21(14-34)38-26(2,3)4/h5-12,19,21H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t19?,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352307 (CHEMBL1822640) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H25FN8O2S/c1-14-9-20(29-28-14)26-22-19-3-2-8-32(19)30-23(27-22)35-18-6-4-16(5-7-18)25-21(34)12-31-11-15(24)10-17(31)13-33/h2-9,15,17,33H,10-13H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352326 (CHEMBL1822650) Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352320 (CHEMBL1822656) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-21-6-4-12-37(21)35-28(32-27)41-19-10-8-18(9-11-19)30-26(39)16-36-14-22(38)24(15-36)40-23-7-3-2-5-20(23)29/h2-13,22,24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352309 (CHEMBL1822638) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H24F2N8O2S/c1-14-9-19(30-29-14)27-21-18-3-2-8-33(18)31-22(28-21)36-17-6-4-15(5-7-17)26-20(35)11-32-13-23(24,25)10-16(32)12-34/h2-9,16,34H,10-13H2,1H3,(H,26,35)(H2,27,28,29,30,31)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50248919 ((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...) Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r| Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4D2 expressed in baculovirus infected Sf9 insect cells using cAMP as substrate preincubated for 5 to 1...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525005 (CHEMBL4459298 | US11401286, Example 171) Show SMILES CCc1cc(Nc2ccc(CC(N)=O)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H19ClN4O/c1-2-16-12-19(23-17-8-6-13(7-9-17)10-18(22)26)25-20(24-16)14-4-3-5-15(21)11-14/h3-9,11-12H,2,10H2,1H3,(H2,22,26)(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352318 (CHEMBL1822658) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50524998 (CHEMBL4564798 | US11401286, Example 62) Show SMILES CCc1nc(Nc2ccc(cc2)C(N)=O)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C18H16ClN5O/c1-2-15-22-17(12-4-3-5-13(19)10-12)24-18(23-15)21-14-8-6-11(7-9-14)16(20)25/h3-10H,2H2,1H3,(H2,20,25)(H,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352328 (CHEMBL1822648) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](F)C4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C22H23FN8O2S/c1-13-9-19(28-27-13)25-21-17-3-2-8-31(17)29-22(26-21)34-15-6-4-14(5-7-15)24-20(33)12-30-10-16(23)18(32)11-30/h2-9,16,18,32H,10-12H2,1H3,(H,24,33)(H2,25,26,27,28,29)/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50524991 (CHEMBL4544243 | US11401286, Example 57) Show SMILES CCc1nc(Nc2ccc(CC(N)=O)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H18ClN5O/c1-2-17-23-18(13-4-3-5-14(20)11-13)25-19(24-17)22-15-8-6-12(7-9-15)10-16(21)26/h3-9,11H,2,10H2,1H3,(H2,21,26)(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50352325 (CHEMBL1822651) Show SMILES COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C25H30N8O4S/c1-16-12-22(30-29-16)27-24-19-4-3-9-33(19)31-25(28-24)38-18-7-5-17(6-8-18)26-23(35)15-32-13-20(34)21(14-32)37-11-10-36-2/h3-9,12,20-21,34H,10-11,13-15H2,1-2H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352316 (CHEMBL1822660) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cc(F)cc(F)c4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H26F2N8O3S/c1-16-9-25(35-34-16)32-27-22-3-2-8-38(22)36-28(33-27)42-21-6-4-19(5-7-21)31-26(40)15-37-13-23(39)24(14-37)41-20-11-17(29)10-18(30)12-20/h2-12,23-24,39H,13-15H2,1H3,(H,31,40)(H2,32,33,34,35,36)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352319 (CHEMBL1822657) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4cccc(F)c4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-12-25(34-33-17)31-27-22-6-3-11-37(22)35-28(32-27)41-21-9-7-19(8-10-21)30-26(39)16-36-14-23(38)24(15-36)40-20-5-2-4-18(29)13-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525009 (CHEMBL4437670 | US11401286, Example 191) Show SMILES CCc1cc(Nc2ccc(CCO)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClN3O/c1-2-17-13-19(22-18-8-6-14(7-9-18)10-11-25)24-20(23-17)15-4-3-5-16(21)12-15/h3-9,12-13,25H,2,10-11H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352317 (CHEMBL1822659) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H26F2N8O3S/c1-16-11-25(35-34-16)32-27-21-3-2-10-38(21)36-28(33-27)42-19-7-5-18(6-8-19)31-26(40)15-37-13-22(39)24(14-37)41-23-9-4-17(29)12-20(23)30/h2-12,22,24,39H,13-15H2,1H3,(H,31,40)(H2,32,33,34,35,36)/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525003 (CHEMBL4449185 | US11401286, Example 182) Show SMILES CCc1cc(Oc2ccc(CCO)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H19ClN2O2/c1-2-17-13-19(25-18-8-6-14(7-9-18)10-11-24)23-20(22-17)15-4-3-5-16(21)12-15/h3-9,12-13,24H,2,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352305 (CHEMBL1822642) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C29H29FN8O3S/c1-18-13-26(35-34-18)32-28-25-3-2-12-38(25)36-29(33-28)42-24-10-6-20(7-11-24)31-27(40)16-37-15-23(14-21(37)17-39)41-22-8-4-19(30)5-9-22/h2-13,21,23,39H,14-17H2,1H3,(H,31,40)(H2,32,33,34,35,36)/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352298 (CHEMBL1822661) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352308 (CHEMBL1822639) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H25FN8O2S/c1-14-9-20(29-28-14)26-22-19-3-2-8-32(19)30-23(27-22)35-18-6-4-16(5-7-18)25-21(34)12-31-11-15(24)10-17(31)13-33/h2-9,15,17,33H,10-13H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t15-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525000 (CHEMBL4561428 | US11401286, Example 120) Show SMILES CNC(=O)Cc1ccc(Nc2cc(nc3CCCc23)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C23H22ClN3O/c1-25-23(28)12-15-8-10-18(11-9-15)26-22-14-21(16-4-2-5-17(24)13-16)27-20-7-3-6-19(20)22/h2,4-5,8-11,13-14H,3,6-7,12H2,1H3,(H,25,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525006 (CHEMBL4434783 | US11401286, Example 80) Show SMILES CCc1nc(Nc2ccc(CO)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C18H17ClN4O/c1-2-16-21-17(13-4-3-5-14(19)10-13)23-18(22-16)20-15-8-6-12(11-24)7-9-15/h3-10,24H,2,11H2,1H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50524994 (CHEMBL4541964 | US11401286, Example 142) Show SMILES OC(=O)Cc1ccc(Cc2cc(nc(c2)C(F)(F)F)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4D2 expressed in baculovirus infected Sf9 insect cells using cAMP as substrate preincubated for 5 to 1...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50524995 (CHEMBL4593524 | US11401286, Example 195) Show SMILES CCc1cc(Cc2ccc(CC(=O)NCCO)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN3O2/c1-2-20-15-21(27-23(26-20)18-4-3-5-19(24)14-18)12-16-6-8-17(9-7-16)13-22(29)25-10-11-28/h3-9,14-15,28H,2,10-13H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525004 (CHEMBL4553222 | US11401286, Example 3) Show SMILES NC(=O)Cc1ccc(Nc2cc(nc3CCCc23)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C22H20ClN3O/c23-16-4-1-3-15(12-16)20-13-21(18-5-2-6-19(18)26-20)25-17-9-7-14(8-10-17)11-22(24)27/h1,3-4,7-10,12-13H,2,5-6,11H2,(H2,24,27)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525008 (CHEMBL4567525 | US11401286, Example 125) Show SMILES NC(=O)Cc1ccc(Cc2cc(nc3CCCc23)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C23H21ClN2O/c24-19-4-1-3-17(13-19)22-14-18(20-5-2-6-21(20)26-22)11-15-7-9-16(10-8-15)12-23(25)27/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H2,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352311 (CHEMBL1822495) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H26N8O2S/c1-15-12-20(28-27-15)25-22-19-5-3-11-31(19)29-23(26-22)34-18-8-6-16(7-9-18)24-21(33)13-30-10-2-4-17(30)14-32/h3,5-9,11-12,17,32H,2,4,10,13-14H2,1H3,(H,24,33)(H2,25,26,27,28,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525011 (CHEMBL4569780 | US11401286, Example 119) Show SMILES NC(=O)CCc1ccc(Nc2cc(nc3CCCc23)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C23H22ClN3O/c24-17-4-1-3-16(13-17)21-14-22(19-5-2-6-20(19)27-21)26-18-10-7-15(8-11-18)9-12-23(25)28/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12H2,(H2,25,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352306 (CHEMBL1822641) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H]5C[C@H]5[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C24H26N8O2S/c1-14-9-21(29-28-14)26-23-19-3-2-8-32(19)30-24(27-23)35-17-6-4-16(5-7-17)25-22(34)12-31-11-15-10-18(15)20(31)13-33/h2-9,15,18,20,33H,10-13H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t15-,18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352303 (CHEMBL1822490) Show SMILES CN1CCN(CC1)C(=O)C(=O)Nc1cc2c(Nc3cc(C)n[nH]3)nc(Sc3ccc(NC(=O)C4CC4)cc3)nn2c1 Show InChI InChI=1S/C27H30N10O3S/c1-16-13-22(33-32-16)30-23-21-14-19(29-25(39)26(40)36-11-9-35(2)10-12-36)15-37(21)34-27(31-23)41-20-7-5-18(6-8-20)28-24(38)17-3-4-17/h5-8,13-15,17H,3-4,9-12H2,1-2H3,(H,28,38)(H,29,39)(H2,30,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50524996 (CHEMBL4573171 | US11401286, Example 65) Show SMILES CCc1cc(Cc2ccc(CC(N)=O)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-18-13-19(10-14-6-8-15(9-7-14)11-20(23)26)25-21(24-18)16-4-3-5-17(22)12-16/h3-9,12-13H,2,10-11H2,1H3,(H2,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50049408 (CHEMBL3315270 | US11401286, Example 40) Show SMILES CCc1nc(Nc2ccc(cc2)C(O)=O)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C18H15ClN4O2/c1-2-15-21-16(12-4-3-5-13(19)10-12)23-18(22-15)20-14-8-6-11(7-9-14)17(24)25/h3-10H,2H2,1H3,(H,24,25)(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352315 (CHEMBL1822491) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CNC4CC4)cc3)nn3cccc23)n[nH]1 Show InChI InChI=1S/C21H22N8OS/c1-13-11-18(27-26-13)24-20-17-3-2-10-29(17)28-21(25-20)31-16-8-6-15(7-9-16)23-19(30)12-22-14-4-5-14/h2-3,6-11,14,22H,4-5,12H2,1H3,(H,23,30)(H2,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352312 (CHEMBL1822494) Show SMILES CN(C)CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccn3n2)cc1 Show InChI InChI=1S/C20H22N8OS/c1-13-11-17(25-24-13)22-19-16-5-4-10-28(16)26-20(23-19)30-15-8-6-14(7-9-15)21-18(29)12-27(2)3/h4-11H,12H2,1-3H3,(H,21,29)(H2,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50524999 (CHEMBL4518460 | US11401286, Example 121) Show SMILES CN(C)C(=O)Cc1ccc(Nc2cc(nc3CCCc23)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C24H24ClN3O/c1-28(2)24(29)13-16-9-11-19(12-10-16)26-23-15-22(17-5-3-6-18(25)14-17)27-21-8-4-7-20(21)23/h3,5-6,9-12,14-15H,4,7-8,13H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352300 (CHEMBL1822487) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCOCC4)cc23)[nH]n1 Show InChI InChI=1S/C26H29N9O3S/c1-16-12-22(32-31-16)29-24-21-13-19(27-23(36)15-34-8-10-38-11-9-34)14-35(21)33-26(30-24)39-20-6-4-18(5-7-20)28-25(37)17-2-3-17/h4-7,12-14,17H,2-3,8-11,15H2,1H3,(H,27,36)(H,28,37)(H2,29,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352297 (CHEMBL1822485) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cccc23)n[nH]1 Show InChI InChI=1S/C20H19N7OS/c1-12-11-17(25-24-12)22-18-16-3-2-10-27(16)26-20(23-18)29-15-8-6-14(7-9-15)21-19(28)13-4-5-13/h2-3,6-11,13H,4-5H2,1H3,(H,21,28)(H2,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	431	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50525007 (CHEMBL4440664 | US11401286, Example 6) Show SMILES OCCc1ccc(Nc2cc(nc3CCCc23)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C22H21ClN2O/c23-17-4-1-3-16(13-17)21-14-22(19-5-2-6-20(19)25-21)24-18-9-7-15(8-10-18)11-12-26/h1,3-4,7-10,13-14,26H,2,5-6,11-12H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50524993 (CHEMBL4458210 | US11401286, Example 67) Show SMILES CCc1cc(Cc2ccc(CCO)cc2)nc(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H21ClN2O/c1-2-19-14-20(12-16-8-6-15(7-9-16)10-11-25)24-21(23-19)17-4-3-5-18(22)13-17/h3-9,13-14,25H,2,10-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	584	n/a	n/a	n/a	n/a	n/a	n/a
Tetra Discovery Partners, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...				J Med Chem 62: 4884-4901 (2019) Article DOI: 10.1021/acs.jmedchem.9b00193 BindingDB Entry DOI: 10.7270/Q26H4MVT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352331 (CHEMBL1822645) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H26N8O3S/c1-14-9-20(28-27-14)25-22-19-3-2-8-31(19)29-23(26-22)35-18-6-4-15(5-7-18)24-21(34)12-30-11-17(33)10-16(30)13-32/h2-9,16-17,32-33H,10-13H2,1H3,(H,24,34)(H2,25,26,27,28,29)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	637	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair

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