Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'sheng' and Initial = 'h'   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50441889 (CHEMBL2436891) Show SMILES Cc1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1 Show InChI InChI=1S/C22H18N2O5/c1-12-7-8-16(25)14(9-12)11-24-21(13-5-3-2-4-6-13)23-18-15(22(24)29)10-17(26)19(27)20(18)28/h2-10,25-28H,11H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50441889 (CHEMBL2436891) Show SMILES Cc1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1 Show InChI InChI=1S/C22H18N2O5/c1-12-7-8-16(25)14(9-12)11-24-21(13-5-3-2-4-6-13)23-18-15(22(24)29)10-17(26)19(27)20(18)28/h2-10,25-28H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	558	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50441888 (CHEMBL2436885) Show SMILES CC(C)c1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1 Show InChI InChI=1S/C24H22N2O5/c1-13(2)15-8-9-18(27)16(10-15)12-26-23(14-6-4-3-5-7-14)25-20-17(24(26)31)11-19(28)21(29)22(20)30/h3-11,13,27-30H,12H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	609	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50441890 (CHEMBL2436890) Show SMILES Oc1cc2c(nc(-c3ccccc3)n(Cc3ccccc3)c2=O)c(O)c1O Show InChI InChI=1S/C21H16N2O4/c24-16-11-15-17(19(26)18(16)25)22-20(14-9-5-2-6-10-14)23(21(15)27)12-13-7-3-1-4-8-13/h1-11,24-26H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	959	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50441888 (CHEMBL2436885) Show SMILES CC(C)c1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1 Show InChI InChI=1S/C24H22N2O5/c1-13(2)15-8-9-18(27)16(10-15)12-26-23(14-6-4-3-5-7-14)25-20-17(24(26)31)11-19(28)21(29)22(20)30/h3-11,13,27-30H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50400184 (CHEMBL192032) Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O Show InChI InChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50441890 (CHEMBL2436890) Show SMILES Oc1cc2c(nc(-c3ccccc3)n(Cc3ccccc3)c2=O)c(O)c1O Show InChI InChI=1S/C21H16N2O4/c24-16-11-15-17(19(26)18(16)25)22-20(14-9-5-2-6-10-14)23(21(15)27)12-13-7-3-1-4-8-13/h1-11,24-26H,12H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50441886 (CHEMBL2436887) Show SMILES Oc1cc(C(=O)NCc2ccccc2)c(NC(=O)c2ccccc2)c(O)c1O Show InChI InChI=1S/C21H18N2O5/c24-16-11-15(21(28)22-12-13-7-3-1-4-8-13)17(19(26)18(16)25)23-20(27)14-9-5-2-6-10-14/h1-11,24-26H,12H2,(H,22,28)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50400184 (CHEMBL192032) Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O Show InChI InChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50441887 (CHEMBL2436886) Show SMILES CCCCNC(=O)c1cc(O)c(O)c(O)c1NC(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O5/c1-2-3-9-19-18(25)12-10-13(21)15(22)16(23)14(12)20-17(24)11-7-5-4-6-8-11/h4-8,10,21-23H,2-3,9H2,1H3,(H,19,25)(H,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50441887 (CHEMBL2436886) Show SMILES CCCCNC(=O)c1cc(O)c(O)c(O)c1NC(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O5/c1-2-3-9-19-18(25)12-10-13(21)15(22)16(23)14(12)20-17(24)11-7-5-4-6-8-11/h4-8,10,21-23H,2-3,9H2,1H3,(H,19,25)(H,20,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50441886 (CHEMBL2436887) Show SMILES Oc1cc(C(=O)NCc2ccccc2)c(NC(=O)c2ccccc2)c(O)c1O Show InChI InChI=1S/C21H18N2O5/c24-16-11-15(21(28)22-12-13-7-3-1-4-8-13)17(19(26)18(16)25)23-20(27)14-9-5-2-6-10-14/h1-11,24-26H,12H2,(H,22,28)(H,23,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50441885 (CHEMBL2436888) Show SMILES Oc1cc(C(=O)NCCCc2ccccc2)c(NC(=O)c2ccccc2)c(O)c1O Show InChI InChI=1S/C23H22N2O5/c26-18-14-17(23(30)24-13-7-10-15-8-3-1-4-9-15)19(21(28)20(18)27)25-22(29)16-11-5-2-6-12-16/h1-6,8-9,11-12,14,26-28H,7,10,13H2,(H,24,30)(H,25,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50441891 (CHEMBL2436889) Show SMILES Oc1cc2c(nc[nH]c2=O)c(O)c1O Show InChI InChI=1S/C8H6N2O4/c11-4-1-3-5(7(13)6(4)12)9-2-10-8(3)14/h1-2,11-13H,(H,9,10,14)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50441885 (CHEMBL2436888) Show SMILES Oc1cc(C(=O)NCCCc2ccccc2)c(NC(=O)c2ccccc2)c(O)c1O Show InChI InChI=1S/C23H22N2O5/c26-18-14-17(23(30)24-13-7-10-15-8-3-1-4-9-15)19(21(28)20(18)27)25-22(29)16-11-5-2-6-12-16/h1-6,8-9,11-12,14,26-28H,7,10,13H2,(H,24,30)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50441891 (CHEMBL2436889) Show SMILES Oc1cc2c(nc[nH]c2=O)c(O)c1O Show InChI InChI=1S/C8H6N2O4/c11-4-1-3-5(7(13)6(4)12)9-2-10-8(3)14/h1-2,11-13H,(H,9,10,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...				Eur J Med Chem 69: 711-8 (2013) Article DOI: 10.1016/j.ejmech.2013.09.030 BindingDB Entry DOI: 10.7270/Q2348MT5
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50528416 (CHEMBL4440965) Show SMILES CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:8.11,5.4,wD:7.29,(76.34,-11.8,;75,-12.56,;73.67,-11.79,;73.68,-10.25,;72.34,-12.55,;71.01,-11.78,;71.01,-10.23,;69.68,-9.47,;68.34,-10.24,;68.34,-11.77,;69.67,-12.55,;67.01,-9.46,;65.68,-10.23,;65.67,-11.77,;64.34,-9.46,;62.93,-10.08,;61.9,-8.93,;62.68,-7.6,;62.05,-6.19,;64.18,-7.92,;60.37,-9.09,;59.59,-10.42,;60.22,-11.83,;58.09,-10.1,;57.93,-8.57,;59.34,-7.94,;59.66,-6.44,;69.68,-7.94,;68.35,-7.17,;68.35,-5.62,;69.68,-4.85,;69.67,-3.31,;71.01,-5.62,;72.34,-4.84,;71.02,-7.17,)| Show InChI InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT2 (120 to 481 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398379 (CHEMBL2177390 | US10550114, Compound GDC-0068 | US...) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573867 (CHEMBL4874391) Show SMILES Cl.Cn1nccc1-c1ccc(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573853 (CHEMBL4867422) Show SMILES Cl.Cn1nccc1-c1ccc(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398379 (CHEMBL2177390 | US10550114, Compound GDC-0068 | US...) Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT2 (120 to 481 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573869 (CHEMBL4556790) Show SMILES Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573866 (CHEMBL4866810) Show SMILES Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cc(F)cc(F)c2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50528442 (CHEMBL4460756) Show SMILES Cn1nccc1-c1ccc(cc1)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H22F2N4O/c1-28-21(9-11-26-28)14-2-4-15(5-3-14)22(29)27-20-13-25-10-8-17(20)16-6-7-18(23)19(24)12-16/h2-7,9,11-12,17,20,25H,8,10,13H2,1H3,(H,27,29)/t17-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT2 (120 to 481 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573867 (CHEMBL4874391) Show SMILES Cl.Cn1nccc1-c1ccc(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT2 (120 to 481 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573866 (CHEMBL4866810) Show SMILES Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cc(F)cc(F)c2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT2 (120 to 481 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573854 (CHEMBL4855363) Show SMILES Cl.Cn1nccc1-c1cc(F)c(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573865 (CHEMBL4875495) Show SMILES Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cc(F)cc(F)c2)c(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50528442 (CHEMBL4460756) Show SMILES Cn1nccc1-c1ccc(cc1)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H22F2N4O/c1-28-21(9-11-26-28)14-2-4-15(5-3-14)22(29)27-20-13-25-10-8-17(20)16-6-7-18(23)19(24)12-16/h2-7,9,11-12,17,20,25H,8,10,13H2,1H3,(H,27,29)/t17-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573868 (CHEMBL4858782) Show SMILES Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573856 (CHEMBL4868168) Show SMILES Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573869 (CHEMBL4556790) Show SMILES Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AKT3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50016496 (CHEMBL3260241) Show SMILES COc1cccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)c1 Show InChI InChI=1S/C19H18N2O5/c1-24-15-4-2-3-13(11-15)5-8-18(22)20-21-19(23)14-6-7-16-17(12-14)26-10-9-25-16/h2-8,11-12H,9-10H2,1H3,(H,20,22)(H,21,23)/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using RRRDELMEASFADQEAKV as substrate after 20 mins by liquid scintillation counting analysis				Eur J Med Chem 81: 420-6 (2014) Article DOI: 10.1016/j.ejmech.2014.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47PK
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573864 (CHEMBL4877044) Show SMILES Cl.Cn1nccc1-c1cc(F)c(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University of Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Bioorg Med Chem 24: 5626-5632 (2016) Article DOI: 10.1016/j.bmc.2016.09.023 BindingDB Entry DOI: 10.7270/Q20V8H9H
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573855 (CHEMBL4868266) Show SMILES Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573859 (CHEMBL4869482) Show SMILES Cl.Cn1ncc(Cl)c1-c1cc(F)c(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r,wU:24.26,wD:19.19,(27.63,-42.44,;30.22,-42.69,;31.37,-43.72,;32.87,-43.4,;33.64,-44.73,;32.61,-45.88,;32.93,-47.38,;31.21,-45.25,;29.87,-46.02,;29.87,-47.56,;28.53,-48.33,;28.53,-49.87,;27.21,-47.56,;27.2,-46.02,;28.53,-45.25,;28.53,-43.71,;25.87,-48.33,;25.87,-49.87,;24.54,-47.55,;23.2,-48.32,;23.2,-49.87,;21.86,-50.63,;20.53,-49.86,;20.53,-48.32,;21.87,-47.56,;21.87,-46.03,;20.54,-45.25,;20.54,-43.71,;21.87,-42.94,;21.86,-41.4,;23.2,-43.7,;24.53,-42.93,;23.21,-45.25,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573860 (CHEMBL4873815) Show SMILES Cl.Cn1ncc(Br)c1-c1cc(F)c(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r,wU:24.26,wD:19.19,(42.55,-41.22,;46.31,-42.34,;47.46,-43.37,;48.96,-43.05,;49.73,-44.38,;48.7,-45.53,;49.02,-47.03,;47.3,-44.9,;45.96,-45.67,;45.96,-47.22,;44.63,-47.98,;44.62,-49.52,;43.3,-47.21,;43.29,-45.67,;44.62,-44.9,;44.62,-43.36,;41.96,-47.98,;41.96,-49.52,;40.63,-47.2,;39.3,-47.97,;39.29,-49.52,;37.95,-50.28,;36.62,-49.51,;36.63,-47.97,;37.96,-47.21,;37.96,-45.68,;36.63,-44.91,;36.63,-43.36,;37.96,-42.59,;37.95,-41.05,;39.29,-43.35,;40.63,-42.58,;39.3,-44.9,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573870 (CHEMBL4854839) Show SMILES Cl.Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1ccc(cc1F)-c1ccn[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50016508 (CHEMBL3260249) Show SMILES O=C(NNC(=O)c1ccc2OCCOc2c1)\C=C\c1ccccc1 Show InChI InChI=1S/C18H16N2O4/c21-17(9-6-13-4-2-1-3-5-13)19-20-18(22)14-7-8-15-16(12-14)24-11-10-23-15/h1-9,12H,10-11H2,(H,19,21)(H,20,22)/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using RRRDELMEASFADQEAKV as substrate after 20 mins by liquid scintillation counting analysis				Eur J Med Chem 81: 420-6 (2014) Article DOI: 10.1016/j.ejmech.2014.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47PK
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573858 (CHEMBL4859898) Show SMILES Cl.Cn1ncc(Br)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573857 (CHEMBL4873154) Show SMILES Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573869 (CHEMBL4556790) Show SMILES Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r| Show InChI	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
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT2 (120 to 481 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573863 (CHEMBL4852887) Show SMILES Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)cc2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50534148 (CHEMBL4524501) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(Cc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C20H21F3N2O2/c21-20(22,23)16-2-1-3-17(13-16)25-8-6-24(7-9-25)14-15-4-5-18-19(12-15)27-11-10-26-18/h1-5,12-13H,6-11,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University of Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immunoassay				Bioorg Med Chem 24: 5626-5632 (2016) Article DOI: 10.1016/j.bmc.2016.09.023 BindingDB Entry DOI: 10.7270/Q20V8H9H
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50016502 (CHEMBL3260248) Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C18H15N3O6/c22-17(8-3-12-1-5-14(6-2-12)21(24)25)19-20-18(23)13-4-7-15-16(11-13)27-10-9-26-15/h1-8,11H,9-10H2,(H,19,22)(H,20,23)/b8-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using RRRDELMEASFADQEAKV as substrate after 20 mins by liquid scintillation counting analysis				Eur J Med Chem 81: 420-6 (2014) Article DOI: 10.1016/j.ejmech.2014.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47PK
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573862 (CHEMBL4878473) Show SMILES Cl.Cn1ncc(Br)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r| Show InChI	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
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50573861 (CHEMBL4877032) Show SMILES Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of A...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00815 BindingDB Entry DOI: 10.7270/Q2GF0Z92
					More data for this Ligand-Target Pair

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