Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'ando' and Initial = 'r'   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50343939 ((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...) Show SMILES C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r| Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Aurora kinase A (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074325 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCO Show InChI InChI=1S/C19H16BrCl2N3O2/c1-11-17(19(27)23-8-9-26)24-25(16-7-6-14(21)10-15(16)22)18(11)12-2-4-13(20)5-3-12/h2-7,10,26H,8-9H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Aurora kinase A (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50343947 (2-(6-hydroxy-6-methylheptylamino)-4-methyl-6-(5-me...) Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1 Show InChI InChI=1S/C19H28N6O/c1-13-10-16(22-17-11-14(2)24-25-17)23-18(15(13)12-20)21-9-7-5-6-8-19(3,4)26/h10-11,26H,5-9H2,1-4H3,(H3,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50343941 (2-(hexylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl...) Show SMILES CCCCCCSc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C17H23N5S/c1-4-5-6-7-8-23-17-14(11-18)12(2)9-15(20-17)19-16-10-13(3)21-22-16/h9-10H,4-8H2,1-3H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50343945 (2-(6-hydroxyhexylamino)-4-methyl-6-(5-methyl-1H-py...) Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)[nH]n1 Show InChI InChI=1S/C17H24N6O/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-18)19-7-5-3-4-6-8-24/h9-10,24H,3-8H2,1-2H3,(H3,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Aurora kinase C (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 NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora C				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50343937 (CHEMBL1780257 | N-(4-(3-cyano-4-methyl-6-(5-methyl...) Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C)c2C#N)cc1 Show InChI InChI=1S/C19H18N6OS/c1-11-8-17(22-18-9-12(2)24-25-18)23-19(16(11)10-20)27-15-6-4-14(5-7-15)21-13(3)26/h4-9H,1-3H3,(H,21,26)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21279 (1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...) Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074316 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-15-21(23(31)28-29-12-4-2-3-5-13-29)27-30(20-11-10-18(25)14-19(20)26)22(15)16-6-8-17(24)9-7-16/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50343942 (2-(6-hydroxyhexylthio)-4-methyl-6-(5-methyl-1H-pyr...) Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1 Show InChI InChI=1S/C17H23N5OS/c1-12-9-15(19-16-10-13(2)21-22-16)20-17(14(12)11-18)24-8-6-4-3-5-7-23/h9-10,23H,3-8H2,1-2H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50343946 (2-(6-hydroxy-6-methylheptylthio)-4-methyl-6-(5-met...) Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)[nH]n1 Show InChI InChI=1S/C19H27N5OS/c1-13-10-16(21-17-11-14(2)23-24-17)22-18(15(13)12-20)26-9-7-5-6-8-19(3,4)25/h10-11,25H,5-9H2,1-4H3,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074313 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22BrCl2N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074314 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21BrCl2N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074323 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nn1cccc1 Show InChI InChI=1S/C21H15BrCl2N4O/c1-13-19(21(29)26-27-10-2-3-11-27)25-28(18-9-8-16(23)12-17(18)24)20(13)14-4-6-15(22)7-5-14/h2-12H,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					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	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora B				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50343944 (2-(2-hydroxyethylamino)-4-methyl-6-(5-methyl-1H-py...) Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCO)n2)[nH]n1 Show InChI InChI=1S/C13H16N6O/c1-8-5-11(16-12-6-9(2)18-19-12)17-13(10(8)7-14)15-3-4-20/h5-6,20H,3-4H2,1-2H3,(H3,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of Yes				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of c-SRC				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50343943 (2-(6-aminohexylthio)-4-methyl-6-(5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCN)n2)[nH]n1 Show InChI InChI=1S/C17H24N6S/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-19)24-8-6-4-3-5-7-18/h9-10H,3-8,18H2,1-2H3,(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of Fyn				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of Flt3				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074320 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H16BrCl2N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h2-13H,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074311 (1-(2,4-Dichloro-phenyl)-5-(2-iodo-phenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccccc1I)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.9,-5.18,;3.85,-6.4,;5.39,-6.33,;5.92,-7.78,;4.7,-8.74,;3.41,-7.87,;1.97,-8.41,;1.73,-9.93,;.29,-10.44,;-.9,-9.47,;-.64,-7.94,;.8,-7.42,;1.07,-5.91,;4.76,-10.28,;3.47,-11.08,;3.51,-12.62,;4.88,-13.35,;4.92,-14.89,;6.17,-12.53,;6.11,-10.99,;7.42,-10.17,;6.24,-5.05,;5.56,-3.67,;7.78,-5.17,;8.64,-3.88,;10.17,-3.99,;11.02,-2.73,;10.37,-1.33,;8.83,-1.23,;7.96,-2.51,)| Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-5-2-6-12-28)26-29(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074321 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 Show InChI InChI=1S/C21H19BrCl2N4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-6-16(23)12-17(18)24)20(13)14-2-4-15(22)5-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074319 (1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-nitro-phenyl...) Show SMILES Cc1c(nn(c1-c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2N5O3/c1-14-20(22(30)26-27-11-3-2-4-12-27)25-28(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(9-6-15)29(31)32/h5-10,13H,2-4,11-12H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074324 (1,5-Bis-(4-chloro-phenyl)-4-methyl-1H-pyrazole-3-c...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50343940 ((R)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...) Show SMILES C[C@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r| Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074318 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES CN(C1CCCCC1)C(=O)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H24BrCl2N3O/c1-15-22(24(31)29(2)19-6-4-3-5-7-19)28-30(21-13-12-18(26)14-20(21)27)23(15)16-8-10-17(25)11-9-16/h8-14,19H,3-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074310 (5-(4-Amino-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(N)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H23Cl2N5O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12,25H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora B				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074309 (1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074322 (CHEMBL352460 | [5-(4-Bromo-phenyl)-1-(2,4-dichloro...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 Show InChI InChI=1S/C22H20BrCl2N3O/c1-14-20(22(29)27-11-3-2-4-12-27)26-28(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074308 (1-(2,4-Dichloro-phenyl)-5-ethyl-4-methyl-1H-pyrazo...) Show SMILES CCc1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C18H22Cl2N4O/c1-3-15-12(2)17(18(25)22-23-9-5-4-6-10-23)21-24(15)16-8-7-13(19)11-14(16)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074316 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-15-21(23(31)28-29-12-4-2-3-5-13-29)27-30(20-11-10-18(25)14-19(20)26)22(15)16-6-8-17(24)9-7-16/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074309 (1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074319 (1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-nitro-phenyl...) Show SMILES Cc1c(nn(c1-c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2N5O3/c1-14-20(22(30)26-27-11-3-2-4-12-27)25-28(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(9-6-15)29(31)32/h5-10,13H,2-4,11-12H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074317 (1-(2,4-Dichloro-phenyl)-4-methyl-5-(2-nitro-phenyl...) Show SMILES Cc1c(nn(c1-c1ccccc1[N+]([O-])=O)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.64,-7.18,;3.6,-8.38,;5.14,-8.34,;5.68,-9.78,;4.46,-10.72,;3.18,-9.88,;1.73,-10.4,;1.49,-11.91,;.04,-12.44,;-1.14,-11.46,;-.89,-9.94,;.56,-9.41,;-.22,-8.08,;-.25,-6.33,;-1.79,-8.09,;4.52,-12.26,;3.22,-13.09,;3.27,-14.6,;4.63,-15.34,;4.68,-16.88,;5.93,-14.53,;5.88,-12.99,;7.18,-12.17,;6,-7.06,;5.3,-5.68,;7.54,-7.16,;8.38,-5.88,;7.71,-4.5,;8.57,-3.22,;10.11,-3.34,;10.78,-4.73,;9.92,-6,)| Show InChI InChI=1S/C22H21Cl2N5O3/c1-14-20(22(30)26-27-11-5-2-6-12-27)25-28(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)29(31)32/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50343936 (CHEMBL1780256 | N-(4-(3-cyano-6-(5-methyl-1H-pyraz...) Show SMILES CC(C)C(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)c2C#N)cc1 Show InChI InChI=1S/C26H24N6OS/c1-16(2)25(33)28-19-9-11-20(12-10-19)34-26-22(15-27)21(18-7-5-4-6-8-18)14-23(30-26)29-24-13-17(3)31-32-24/h4-14,16H,1-3H3,(H,28,33)(H2,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074312 (CHEMBL422034 | [5-(4-Bromo-phenyl)-1-(2,4-dichloro...) Show SMILES CN1CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21BrCl2N4O/c1-14-20(22(30)28-11-9-27(2)10-12-28)26-29(19-8-7-17(24)13-18(19)25)21(14)15-3-5-16(23)6-4-15/h3-8,13H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074315 (5-(2-Amino-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccccc1N)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.9,-5.18,;3.85,-6.4,;5.39,-6.33,;5.92,-7.78,;4.7,-8.74,;3.41,-7.87,;1.97,-8.41,;1.73,-9.93,;.29,-10.44,;-.9,-9.47,;-.64,-7.94,;.8,-7.42,;.78,-5.88,;4.76,-10.28,;3.47,-11.08,;3.51,-12.62,;4.88,-13.35,;4.92,-14.89,;6.17,-12.53,;6.11,-10.99,;7.42,-10.17,;6.24,-5.05,;5.56,-3.67,;7.78,-5.17,;8.64,-3.88,;7.96,-2.51,;8.83,-1.23,;10.37,-1.33,;11.02,-2.73,;10.17,-3.99,)| Show InChI InChI=1S/C22H23Cl2N5O/c1-14-20(22(30)27-28-11-5-2-6-12-28)26-29(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)25/h3-4,7-10,13H,2,5-6,11-12,25H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074311 (1-(2,4-Dichloro-phenyl)-5-(2-iodo-phenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccccc1I)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.9,-5.18,;3.85,-6.4,;5.39,-6.33,;5.92,-7.78,;4.7,-8.74,;3.41,-7.87,;1.97,-8.41,;1.73,-9.93,;.29,-10.44,;-.9,-9.47,;-.64,-7.94,;.8,-7.42,;1.07,-5.91,;4.76,-10.28,;3.47,-11.08,;3.51,-12.62,;4.88,-13.35,;4.92,-14.89,;6.17,-12.53,;6.11,-10.99,;7.42,-10.17,;6.24,-5.05,;5.56,-3.67,;7.78,-5.17,;8.64,-3.88,;10.17,-3.99,;11.02,-2.73,;10.37,-1.33,;8.83,-1.23,;7.96,-2.51,)| Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-5-2-6-12-28)26-29(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	577	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074317 (1-(2,4-Dichloro-phenyl)-4-methyl-5-(2-nitro-phenyl...) Show SMILES Cc1c(nn(c1-c1ccccc1[N+]([O-])=O)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.64,-7.18,;3.6,-8.38,;5.14,-8.34,;5.68,-9.78,;4.46,-10.72,;3.18,-9.88,;1.73,-10.4,;1.49,-11.91,;.04,-12.44,;-1.14,-11.46,;-.89,-9.94,;.56,-9.41,;-.22,-8.08,;-.25,-6.33,;-1.79,-8.09,;4.52,-12.26,;3.22,-13.09,;3.27,-14.6,;4.63,-15.34,;4.68,-16.88,;5.93,-14.53,;5.88,-12.99,;7.18,-12.17,;6,-7.06,;5.3,-5.68,;7.54,-7.16,;8.38,-5.88,;7.71,-4.5,;8.57,-3.22,;10.11,-3.34,;10.78,-4.73,;9.92,-6,)| Show InChI InChI=1S/C22H21Cl2N5O3/c1-14-20(22(30)26-27-11-5-2-6-12-27)25-28(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)29(31)32/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	691	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074308 (1-(2,4-Dichloro-phenyl)-5-ethyl-4-methyl-1H-pyrazo...) Show SMILES CCc1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C18H22Cl2N4O/c1-3-15-12(2)17(18(25)22-23-9-5-4-6-10-23)21-24(15)16-8-7-13(19)11-14(16)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	744	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074324 (1,5-Bis-(4-chloro-phenyl)-4-methyl-1H-pyrazole-3-c...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	836	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074315 (5-(2-Amino-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccccc1N)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.9,-5.18,;3.85,-6.4,;5.39,-6.33,;5.92,-7.78,;4.7,-8.74,;3.41,-7.87,;1.97,-8.41,;1.73,-9.93,;.29,-10.44,;-.9,-9.47,;-.64,-7.94,;.8,-7.42,;.78,-5.88,;4.76,-10.28,;3.47,-11.08,;3.51,-12.62,;4.88,-13.35,;4.92,-14.89,;6.17,-12.53,;6.11,-10.99,;7.42,-10.17,;6.24,-5.05,;5.56,-3.67,;7.78,-5.17,;8.64,-3.88,;7.96,-2.51,;8.83,-1.23,;10.37,-1.33,;11.02,-2.73,;10.17,-3.99,)| Show InChI InChI=1S/C22H23Cl2N5O/c1-14-20(22(30)27-28-11-5-2-6-12-28)26-29(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)25/h3-4,7-10,13H,2,5-6,11-12,25H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	931	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50074310 (5-(4-Amino-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...) Show SMILES Cc1c(nn(c1-c1ccc(N)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H23Cl2N5O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12,25H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	958	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 2 in mouse spleen				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair

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