Compile Data Set for Download or QSAR

Found 7 hits of ic50 data for polymerid = 6768   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase B-B (Xenopus laevis (African clawed frog))	BDBM142739 (US8937095, 1) Show SMILES CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(cc3)N3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H31N5O2/c1-3-32-28(37)16-10-22-9-15-26-27(21-22)34-31(38)29(26)30(23-7-5-4-6-8-23)33-24-11-13-25(14-12-24)36-19-17-35(2)18-20-36/h4-9,11-15,21,33H,3,17-20H2,1-2H3,(H,32,37)(H,34,38)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.6	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ...				US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4
					More data for this Ligand-Target Pair
Aurora kinase B-B (Xenopus laevis (African clawed frog))	BDBM142744 (US8937095, 6) Show SMILES CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,31H,4,19H2,1-3H3,(H,30,34)(H,32,35)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.6	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ...				US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B-B (Xenopus laevis (African clawed frog))	BDBM142744 (US8937095, 6) Show SMILES CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,31H,4,19H2,1-3H3,(H,30,34)(H,32,35)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116922 BindingDB Entry DOI: 10.7270/Q2DR30FW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B-B (Xenopus laevis (African clawed frog))	BDBM142741 (US8937095, 3) Show SMILES FC(F)CNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN4CCCC4)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H28F2N4O2/c32-27(33)19-34-28(38)15-11-21-10-14-25-26(18-21)36-31(39)29(25)30(23-6-2-1-3-7-23)35-24-12-8-22(9-13-24)20-37-16-4-5-17-37/h1-3,6-10,12-14,18,27,35H,4-5,16-17,19-20H2,(H,34,38)(H,36,39)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.6	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ...				US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4
					More data for this Ligand-Target Pair
Aurora kinase B-B (Xenopus laevis (African clawed frog))	BDBM142743 (US8937095, 5) Show SMILES CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN4CCCC4)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H30N4O2/c1-2-32-28(36)17-13-22-12-16-26-27(20-22)34-31(37)29(26)30(24-8-4-3-5-9-24)33-25-14-10-23(11-15-25)21-35-18-6-7-19-35/h3-5,8-12,14-16,20,33H,2,6-7,18-19,21H2,1H3,(H,32,36)(H,34,37)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.6	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ...				US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4
					More data for this Ligand-Target Pair
Aurora kinase B-B (Xenopus laevis (African clawed frog))	BDBM142742 (US8937095, 4) Show SMILES FCCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN4CCCC4)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H29FN4O2/c32-16-17-33-28(37)15-11-22-10-14-26-27(20-22)35-31(38)29(26)30(24-6-2-1-3-7-24)34-25-12-8-23(9-13-25)21-36-18-4-5-19-36/h1-3,6-10,12-14,20,34H,4-5,16-19,21H2,(H,33,37)(H,35,38)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.6	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ...				US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4
					More data for this Ligand-Target Pair
Aurora kinase B-B (Xenopus laevis (African clawed frog))	BDBM142740 (US8937095, 2) Show SMILES CN(C)Cc1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C#CC(=O)NCC(F)F)c2ccccc2)cc1 Show InChI InChI=1S/C29H26F2N4O2/c1-35(2)18-20-8-12-22(13-9-20)33-28(21-6-4-3-5-7-21)27-23-14-10-19(16-24(23)34-29(27)37)11-15-26(36)32-17-25(30)31/h3-10,12-14,16,25,33H,17-18H2,1-2H3,(H,32,36)(H,34,37)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.6	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ...				US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4
					More data for this Ligand-Target Pair