Compile Data Set for Download or QSAR

Found 2996 hits with Last Name = 'dou' and Initial = 'c'   

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
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50163152 (1-Oxazolo[4,5-b]pyridin-2-yl-octadec-9-yn-1-one | ...) Show SMILES CCCCCCCCC#CCCCCCCCC(=O)c1nc2ncccc2o1 Show InChI InChI=1S/C24H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h17,19-20H,2-8,11-16,18H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli				J Med Chem 48: 1849-56 (2005) Article DOI: 10.1021/jm049614v BindingDB Entry DOI: 10.7270/Q2Q52P54
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161518 (1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...) Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50161518 (1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...) Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli				J Med Chem 48: 1849-56 (2005) Article DOI: 10.1021/jm049614v BindingDB Entry DOI: 10.7270/Q2Q52P54
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM23316 (7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...) Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli				J Med Chem 48: 1849-56 (2005) Article DOI: 10.1021/jm049614v BindingDB Entry DOI: 10.7270/Q2Q52P54
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM23316 (7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...) Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161528 (8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-...) Show SMILES O=C(CCCCCCCc1ccccc1)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C20H22N2O3/c23-17(19-21-22-20(25-19)18-14-9-15-24-18)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells				Bioorg Med Chem Lett 20: 4749-52 (2010) Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169264 ((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169264 ((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23079 (3-[4-(benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazo...) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1 Show InChI InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	-53.8	0.300	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161520 (1-(oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one...) Show SMILES O=C(CCCCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C20H22N2O2/c23-17(20-22-19-18(24-20)14-9-15-21-19)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM23069 (3-[4-(benzyloxy)phenyl]-1-[5-(pyridin-2-yl)-1,3-ox...) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-11-18-9-12-20(13-10-18)28-17-19-6-2-1-3-7-19/h1-10,12-13,15-16H,11,14,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	-53.3	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161525 (1-(oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one...) Show SMILES O=C(CCCCCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C21H24N2O2/c24-18(21-23-20-19(25-21)15-10-16-22-20)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16H,1-4,6,9,11,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161511 (1-(5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-o...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C19H20N2O3/c22-16(18-20-21-19(24-18)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					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
Centre de Recherches Curated by ChEMBL					Assay Description In vitro inhibition constant for Aurora-A				J Med Chem 49: 955-70 (2006) Article DOI: 10.1021/jm050786h BindingDB Entry DOI: 10.7270/Q24J0FXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM23079 (3-[4-(benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazo...) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1 Show InChI InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23078 (3-(4-phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	-52.1	0.700	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50179077 ((4R,9aR)-6-bromo-4-methyl-1,2,3,4,9,9a-hexahydro-2...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12 Show InChI InChI=1S/C11H14BrN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161513 (7-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-...) Show SMILES O=C(CCCCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C22H25N3O2/c26-20(22-25-24-21(27-22)19-15-10-11-17-23-19)16-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15,17H,1-4,6,9,12,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161513 (7-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-...) Show SMILES O=C(CCCCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C22H25N3O2/c26-20(22-25-24-21(27-22)19-15-10-11-17-23-19)16-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15,17H,1-4,6,9,12,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23061 (7-(3-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C21H21ClN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-4,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	-51.6	2	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23063 (7-(2,3-dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxa...) Show SMILES Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl Show InChI InChI=1S/C21H20Cl2N2O2/c22-16-10-7-9-15(20(16)23)8-3-1-2-4-12-18(26)21-25-14-19(27-21)17-11-5-6-13-24-17/h5-7,9-11,13-14H,1-4,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	-51.6	7	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23055 (alpha-ketooxazole, 5aa | methyl 2-{7-oxo-7-[5-(pyr...) Show SMILES COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-12-7-6-11-17(18)10-4-2-3-5-14-20(26)22-25-16-21(29-22)19-13-8-9-15-24-19/h6-9,11-13,15-16H,2-5,10,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	-50.9	0.400	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23073 (3-[4-(phenoxymethyl)phenyl]-1-[5-(pyridin-2-yl)-1,...) Show SMILES O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-13-18-9-11-19(12-10-18)17-28-20-6-2-1-3-7-20/h1-12,15-16H,13-14,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	-51.4	2	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23053 (1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluo...) Show SMILES FC(F)(F)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-10-7-9-16(14-17)8-3-1-2-4-12-19(28)21-27-15-20(29-21)18-11-5-6-13-26-18/h5-7,9-11,13-15H,1-4,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	-50.9	20	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26295 (CHEMBL214849 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) Show SMILES CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC Show InChI InChI=1S/C28H33F2N7O4/c1-3-8-37(10-11-38)9-5-12-41-24-16-22-19(15-23(24)40-2)28(32-17-31-22)34-25-13-18(35-36-25)14-26(39)33-21-7-4-6-20(29)27(21)30/h4,6-7,13,15-17,38H,3,5,8-12,14H2,1-2H3,(H,33,39)(H2,31,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	<-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from mouse H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50377558 (CHEMBL429144) Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccc(F)cc3)c2n1 Show InChI InChI=1S/C17H13FN6O2/c18-11-5-3-10(4-6-11)8-20-17(25)24-9-21-14-13(12-2-1-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50377557 (CHEMBL264432) Show SMILES Cc1ccc(CNC(=O)n2cnc3c(nc(N)nc23)-c2ccco2)cc1 Show InChI InChI=1S/C18H16N6O2/c1-11-4-6-12(7-5-11)9-20-18(25)24-10-21-15-14(13-3-2-8-26-13)22-17(19)23-16(15)24/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50377556 (CHEMBL411034) Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1 Show InChI InChI=1S/C17H13ClN6O2/c18-11-5-2-1-4-10(11)8-20-17(25)24-9-21-14-13(12-6-3-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50377567 (CHEMBL409915) Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3cccs3)c2n1 Show InChI InChI=1S/C15H12N6O2S/c16-14-19-11(10-4-1-5-23-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-2-6-24-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50377566 (CHEMBL259049) Show SMILES Cc1cccc(CNC(=O)n2cnc3c(nc(N)nc23)-c2ccco2)c1 Show InChI InChI=1S/C18H16N6O2/c1-11-4-2-5-12(8-11)9-20-18(25)24-10-21-15-14(13-6-3-7-26-13)22-17(19)23-16(15)24/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50377543 (CHEMBL260146) Show SMILES Nc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1 Show InChI InChI=1S/C17H14N6O2/c18-16-21-14(13-7-4-8-25-13)12-10-20-23(15(12)22-16)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50377538 (CHEMBL257757) Show SMILES Nc1nc(-c2ccco2)c2cnn(Cc3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C16H12ClN5O/c17-11-4-1-3-10(7-11)9-22-15-12(8-19-22)14(20-16(18)21-15)13-5-2-6-23-13/h1-8H,9H2,(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50239036 (2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carbox...) Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 Show InChI InChI=1S/C17H14N6O2/c18-16-21-13(12-7-4-8-25-12)14-15(22-16)23(10-20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22)	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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161524 (7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1cccnc1 Show InChI InChI=1S/C20H21N3O2/c24-18(13-7-2-1-4-9-16-10-5-3-6-11-16)20-23-22-19(25-20)17-12-8-14-21-15-17/h3,5-6,8,10-12,14-15H,1-2,4,7,9,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50161514 (7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccncc1 Show InChI InChI=1S/C20H21N3O2/c24-18(11-7-2-1-4-8-16-9-5-3-6-10-16)20-23-22-19(25-20)17-12-14-21-15-13-17/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26296 (CHEMBL216053 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C Show InChI InChI=1S/C29H35F2N7O4/c1-18(2)16-38(9-10-39)8-5-11-42-25-15-23-20(14-24(25)41-3)29(33-17-32-23)35-26-12-19(36-37-26)13-27(40)34-22-7-4-6-21(30)28(22)31/h4,6-7,12,14-15,17-18,39H,5,8-11,13,16H2,1-3H3,(H,34,40)(H2,32,33,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	<-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26294 (CHEMBL214848 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC Show InChI InChI=1S/C27H31F2N7O4/c1-3-36(9-10-37)8-5-11-40-23-15-21-18(14-22(23)39-2)27(31-16-30-21)33-24-12-17(34-35-24)13-25(38)32-20-7-4-6-19(28)26(20)29/h4,6-7,12,14-16,37H,3,5,8-11,13H2,1-2H3,(H,32,38)(H2,30,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	<-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26292 (2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-6...) Show SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC Show InChI InChI=1S/C27H32FN7O4/c1-3-35(9-10-36)8-5-11-39-24-16-22-21(15-23(24)38-2)27(30-17-29-22)32-25-13-20(33-34-25)14-26(37)31-19-7-4-6-18(28)12-19/h4,6-7,12-13,15-17,36H,3,5,8-11,14H2,1-2H3,(H,31,37)(H2,29,30,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26291 (N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)(m...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO Show InChI InChI=1S/C26H30FN7O4/c1-34(8-9-35)7-4-10-38-23-15-21-20(14-22(23)37-2)26(29-16-28-21)31-24-12-19(32-33-24)13-25(36)30-18-6-3-5-17(27)11-18/h3,5-6,11-12,14-16,35H,4,7-10,13H2,1-2H3,(H,30,36)(H2,28,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26290 (N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)am...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCNCCO Show InChI InChI=1S/C25H28FN7O4/c1-36-21-13-19-20(14-22(21)37-9-3-6-27-7-8-34)28-15-29-25(19)31-23-11-18(32-33-23)12-24(35)30-17-5-2-4-16(26)10-17/h2,4-5,10-11,13-15,27,34H,3,6-9,12H2,1H3,(H,30,35)(H2,28,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26289 (N-(3-fluorophenyl)-2-{3-[(7-{3-[(2R)-2-(hydroxymet...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r| Show InChI InChI=1S/C28H32FN7O4/c1-39-24-14-22-23(15-25(24)40-10-4-9-36-8-3-7-21(36)16-37)30-17-31-28(22)33-26-12-20(34-35-26)13-27(38)32-19-6-2-5-18(29)11-19/h2,5-6,11-12,14-15,17,21,37H,3-4,7-10,13,16H2,1H3,(H,32,38)(H2,30,31,33,34,35)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26288 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyet...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CCO)CC1 Show InChI InChI=1S/C30H35F2N7O4/c1-42-25-16-21-24(17-26(25)43-13-3-9-39-10-6-19(7-11-39)8-12-40)33-18-34-30(21)36-27-14-20(37-38-27)15-28(41)35-23-5-2-4-22(31)29(23)32/h2,4-5,14,16-19,40H,3,6-13,15H2,1H3,(H,35,41)(H2,33,34,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26287 (N-(2,3-difluorophenyl)-2-[3-({7-[3-(4-hydroxypiper...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(O)CC1 Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-14-19-22(15-24(23)41-11-3-8-37-9-6-18(38)7-10-37)31-16-32-28(19)34-25-12-17(35-36-25)13-26(39)33-21-5-2-4-20(29)27(21)30/h2,4-5,12,14-16,18,38H,3,6-11,13H2,1H3,(H,33,39)(H2,31,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26286 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[4-(2-hydroxyet...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCN(CCO)CC1 Show InChI InChI=1S/C29H34F2N8O4/c1-42-24-16-20-23(17-25(24)43-13-3-6-38-7-9-39(10-8-38)11-12-40)32-18-33-29(20)35-26-14-19(36-37-26)15-27(41)34-22-5-2-4-21(30)28(22)31/h2,4-5,14,16-18,40H,3,6-13,15H2,1H3,(H,34,41)(H2,32,33,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26297 (CHEMBL215322 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 Show InChI InChI=1S/C26H29F2N7O3/c1-2-35(10-11-36)9-4-12-38-18-7-8-19-22(15-18)29-16-30-26(19)32-23-13-17(33-34-23)14-24(37)31-21-6-3-5-20(27)25(21)28/h3,5-8,13,15-16,36H,2,4,9-12,14H2,1H3,(H,31,37)(H2,29,30,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26298 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethy...) Show SMILES CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 Show InChI InChI=1S/C27H31F2N7O3/c1-2-9-36(11-12-37)10-4-13-39-19-7-8-20-23(16-19)30-17-31-27(20)33-24-14-18(34-35-24)15-25(38)32-22-6-3-5-21(28)26(22)29/h3,5-8,14,16-17,37H,2,4,9-13,15H2,1H3,(H,32,38)(H2,30,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26299 (N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2R)-2-(hydrox...) Show SMILES OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 |r| Show InChI InChI=1S/C27H29F2N7O3/c28-21-5-1-6-22(26(21)29)32-25(38)13-17-12-24(35-34-17)33-27-20-8-7-19(14-23(20)30-16-31-27)39-11-3-10-36-9-2-4-18(36)15-37/h1,5-8,12,14,16,18,37H,2-4,9-11,13,15H2,(H,32,38)(H2,30,31,33,34,35)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM26300 (2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}qu...) Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair

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