Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'shukla' and Initial = 'p'   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50442179 (CHEMBL2441619) Show SMILES Cc1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F Show InChI InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	399	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				ACS Med Chem Lett 4: 1005-1010 (2013) Article DOI: 10.1021/ml400312j BindingDB Entry DOI: 10.7270/Q2RR20PR
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	28.6	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479526 (CHEMBL515560) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2cccc(NC(C)=O)c2)cc1 Show InChI InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-6-4-5-16(11-17)23-14(2)28)20(27-25-13)26-22-12-15-7-9-18(30-3)10-8-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476074 (Gentamicin | SCH-9724 | Uromycine) Show SMILES [H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC |r| Show InChI InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m110/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	445	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479524 (CHEMBL474344) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2cccc(OC)c2)cc1 Show InChI InChI=1S/C20H21N5O3/c1-13-18(20(26)22-15-5-4-6-17(11-15)28-3)19(25-23-13)24-21-12-14-7-9-16(27-2)10-8-14/h4-12H,1-3H3,(H,22,26)(H2,23,24,25)/b21-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	449	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479510 (CHEMBL515112) Show SMILES COc1ccc(NC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C20H21N5O3/c1-13-18(20(26)22-15-6-10-17(28-3)11-7-15)19(25-23-13)24-21-12-14-4-8-16(27-2)9-5-14/h4-12H,1-3H3,(H,22,26)(H2,23,24,25)/b21-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479520 (CHEMBL473334) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 Show InChI InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-8-6-16(7-9-17)23-14(2)28)20(27-25-13)26-22-12-15-4-10-18(30-3)11-5-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	719	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479527 (CHEMBL461954) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C19H19N5O2/c1-13-17(19(25)21-15-6-4-3-5-7-15)18(24-22-13)23-20-12-14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,21,25)(H2,22,23,24)/b20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	804	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479521 (CHEMBL461785) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2cccc(OC)c2)cc1 Show InChI InChI=1S/C21H23N5O3/c1-14-19(21(27)22-12-16-5-4-6-18(11-16)29-3)20(26-24-14)25-23-13-15-7-9-17(28-2)10-8-15/h4-11,13H,12H2,1-3H3,(H,22,27)(H2,24,25,26)/b23-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	838	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479522 (CHEMBL473131) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(OC)c(OC)c2)cc1 Show InChI InChI=1S/C21H23N5O4/c1-13-19(21(27)23-15-7-10-17(29-3)18(11-15)30-4)20(26-24-13)25-22-12-14-5-8-16(28-2)9-6-14/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)/b22-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479528 (CHEMBL518032) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C23H24N6O2/c1-15-21(22(29-27-15)28-26-13-16-7-9-18(31-2)10-8-16)23(30)24-12-11-17-14-25-20-6-4-3-5-19(17)20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,30)(H2,27,28,29)/b26-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479511 (CHEMBL474540) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccccc2OC)cc1 Show InChI InChI=1S/C20H21N5O3/c1-13-18(20(26)22-16-6-4-5-7-17(16)28-3)19(25-23-13)24-21-12-14-8-10-15(27-2)11-9-14/h4-12H,1-3H3,(H,22,26)(H2,23,24,25)/b21-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479517 (CHEMBL461599) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C21H23N5O2/c1-15-19(21(27)22-13-12-16-6-4-3-5-7-16)20(26-24-15)25-23-14-17-8-10-18(28-2)11-9-17/h3-11,14H,12-13H2,1-2H3,(H,22,27)(H2,24,25,26)/b23-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479525 (CHEMBL473333) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H18FN5O2/c1-12-17(19(26)22-15-7-5-14(20)6-8-15)18(25-23-12)24-21-11-13-3-9-16(27-2)10-4-13/h3-11H,1-2H3,(H,22,26)(H2,23,24,25)/b21-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479531 (CHEMBL517573) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2cccnc2)cc1 Show InChI InChI=1S/C20H22N6O2/c1-14-18(20(27)22-11-9-15-4-3-10-21-12-15)19(26-24-14)25-23-13-16-5-7-17(28-2)8-6-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,27)(H2,24,25,26)/b23-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479512 (CHEMBL516353) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(cc2)N(C)C)cc1 Show InChI InChI=1S/C21H24N6O2/c1-14-19(21(28)23-16-7-9-17(10-8-16)27(2)3)20(26-24-14)25-22-13-15-5-11-18(29-4)12-6-15/h5-13H,1-4H3,(H,23,28)(H2,24,25,26)/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479529 (CHEMBL514951) Show SMILES COc1ccc(CCNC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C22H25N5O3/c1-15-20(22(28)23-13-12-16-4-8-18(29-2)9-5-16)21(27-25-15)26-24-14-17-6-10-19(30-3)11-7-17/h4-11,14H,12-13H2,1-3H3,(H,23,28)(H2,25,26,27)/b24-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479516 (CHEMBL460720) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C20H21N5O2/c1-14-18(20(26)21-12-15-6-4-3-5-7-15)19(25-23-14)24-22-13-16-8-10-17(27-2)11-9-16/h3-11,13H,12H2,1-2H3,(H,21,26)(H2,23,24,25)/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479519 (CHEMBL461784) Show SMILES COc1ccc(CNC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C21H23N5O3/c1-14-19(21(27)22-12-15-4-8-17(28-2)9-5-15)20(26-24-14)25-23-13-16-6-10-18(29-3)11-7-16/h4-11,13H,12H2,1-3H3,(H,22,27)(H2,24,25,26)/b23-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479513 (CHEMBL460905) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2cccc(NC(C)=O)c2)cc1 Show InChI InChI=1S/C22H24N6O3/c1-14-20(22(30)23-12-17-5-4-6-18(11-17)25-15(2)29)21(28-26-14)27-24-13-16-7-9-19(31-3)10-8-16/h4-11,13H,12H2,1-3H3,(H,23,30)(H,25,29)(H2,26,27,28)/b24-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479533 (CHEMBL460728) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C18H21N7O2/c1-12-16(18(26)20-8-7-14-10-19-11-21-14)17(25-23-12)24-22-9-13-3-5-15(27-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,26)(H2,23,24,25)/b22-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479518 (CHEMBL461972) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCCc2ccccc2)cc1 Show InChI InChI=1S/C22H25N5O2/c1-16-20(22(28)23-14-6-9-17-7-4-3-5-8-17)21(27-25-16)26-24-15-18-10-12-19(29-2)13-11-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,23,28)(H2,25,26,27)/b24-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479509 (CHEMBL473948) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2cccc(OC)c2)cc1 Show InChI InChI=1S/C22H25N5O3/c1-15-20(22(28)23-12-11-16-5-4-6-19(13-16)30-3)21(27-25-15)26-24-14-17-7-9-18(29-2)10-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,28)(H2,25,26,27)/b24-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479530 (CHEMBL517571) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C20H20N4O3/c1-14-18(20(25)27-13-16-6-4-3-5-7-16)19(24-22-14)23-21-12-15-8-10-17(26-2)11-9-15/h3-12H,13H2,1-2H3,(H2,22,23,24)/b21-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476076 (CHEMBL219823) Show SMILES Cc1sc2c(n(C)c1O)c(=O)c1ccccc1c2=O Show InChI InChI=1S/C14H11NO3S/c1-7-14(18)15(2)10-11(16)8-5-3-4-6-9(8)12(17)13(10)19-7/h3-6,18H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479514 (CHEMBL454390) Show SMILES CCOC(=O)c1c(C)n[nH]c1N\N=C\c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C16H17N5O2/c1-3-23-16(22)14-10(2)19-21-15(14)20-18-9-11-4-5-13-12(8-11)6-7-17-13/h4-9,17H,3H2,1-2H3,(H2,19,20,21)/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479515 (CHEMBL455180) Show SMILES CCOC(=O)c1c(C)n[nH]c1N\N=C\c1cccc2[nH]ccc12 Show InChI InChI=1S/C16H17N5O2/c1-3-23-16(22)14-10(2)19-21-15(14)20-18-9-11-5-4-6-13-12(11)7-8-17-13/h4-9,17H,3H2,1-2H3,(H2,19,20,21)/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479534 (CHEMBL455177) Show SMILES CCOC(=O)c1c(C)n[nH]c1N\N=C\c1ccc(OC)cc1 Show InChI InChI=1S/C15H18N4O3/c1-4-22-15(20)13-10(2)17-19-14(13)18-16-9-11-5-7-12(21-3)8-6-11/h5-9H,4H2,1-3H3,(H2,17,18,19)/b16-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476080 (CHEMBL387360) Show SMILES CCOC(=O)C(C)SC1=C(NCCO)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C17H19NO5S/c1-3-23-17(22)10(2)24-16-13(18-8-9-19)14(20)11-6-4-5-7-12(11)15(16)21/h4-7,10,18-19H,3,8-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476069 (CHEMBL221205) Show SMILES CCOC(=O)C(C)SC1=C(NC(C)(C)C)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C19H23NO4S/c1-6-24-18(23)11(2)25-17-14(20-19(3,4)5)15(21)12-9-7-8-10-13(12)16(17)22/h7-11,20H,6H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476081 (CHEMBL222621) Show SMILES CCOC(=O)C(C)SC1=C(N)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C15H15NO4S/c1-3-20-15(19)8(2)21-14-11(16)12(17)9-6-4-5-7-10(9)13(14)18/h4-8H,3,16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476070 (CHEMBL374013) Show SMILES CCOC(=O)C(C)SC1=C(Cl)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C15H13ClO4S/c1-3-20-15(19)8(2)21-14-11(16)12(17)9-6-4-5-7-10(9)13(14)18/h4-8H,3H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476077 (CHEMBL386004) Show SMILES CCOC(=O)CSC1=C(Cl)C(=O)c2ccccc2C1=O |c:7| Show InChI InChI=1S/C14H11ClO4S/c1-2-19-10(16)7-20-14-11(15)12(17)8-5-3-4-6-9(8)13(14)18/h3-6H,2,7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479532 (CHEMBL451034) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)N(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H23N5O2/c1-15-19(21(27)26(2)14-17-7-5-4-6-8-17)20(25-23-15)24-22-13-16-9-11-18(28-3)12-10-16/h4-13H,14H2,1-3H3,(H2,23,24,25)/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50479523 (CHEMBL461955) Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)N(C)c2ccccc2)cc1 Show InChI InChI=1S/C20H21N5O2/c1-14-18(20(26)25(2)16-7-5-4-6-8-16)19(24-22-14)23-21-13-15-9-11-17(27-3)12-10-15/h4-13H,1-3H3,(H2,22,23,24)/b21-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3				J Med Chem 52: 1050-62 (2009) Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476071 (CHEMBL376481) Show SMILES CCOC(=O)CSC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O |c:7| Show InChI InChI=1S/C20H17NO4S/c1-2-25-16(22)12-26-20-17(21-13-8-4-3-5-9-13)18(23)14-10-6-7-11-15(14)19(20)24/h3-11,21H,2,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476078 (CHEMBL376009) Show SMILES CCOC(=O)CSC1=C(NCC(C)C)C(=O)c2ccccc2C1=O |c:7| Show InChI InChI=1S/C18H21NO4S/c1-4-23-14(20)10-24-18-15(19-9-11(2)3)16(21)12-7-5-6-8-13(12)17(18)22/h5-8,11,19H,4,9-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476073 (CHEMBL387359) Show SMILES CCOC(=O)CSC1=C(NC(C)C)C(=O)c2ccccc2C1=O |c:7| Show InChI InChI=1S/C17H19NO4S/c1-4-22-13(19)9-23-17-14(18-10(2)3)15(20)11-7-5-6-8-12(11)16(17)21/h5-8,10,18H,4,9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476075 (CHEMBL374197) Show SMILES CCOC(=O)C(C)SC1=C(NN)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C15H16N2O4S/c1-3-21-15(20)8(2)22-14-11(17-16)12(18)9-6-4-5-7-10(9)13(14)19/h4-8,17H,3,16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476072 (CHEMBL375171) Show SMILES CCOC(=O)C(C)SC1=C(NCCc2ccc(OC)c(OC)c2)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C25H27NO6S/c1-5-32-25(29)15(2)33-24-21(22(27)17-8-6-7-9-18(17)23(24)28)26-13-12-16-10-11-19(30-3)20(14-16)31-4/h6-11,14-15,26H,5,12-13H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476079 (CHEMBL219832) Show SMILES CCOC(=O)CSC1=C(NCc2ccccc2)C(=O)c2ccccc2C1=O |c:7| Show InChI InChI=1S/C21H19NO4S/c1-2-26-17(23)13-27-21-18(22-12-14-8-4-3-5-9-14)19(24)15-10-6-7-11-16(15)20(21)25/h3-11,22H,2,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair