Compile Data Set for Download or QSAR

Found 652 hits with Last Name = 'müller' and Initial = 'o'   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34143 (CHEMBL175835 | E-6837) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12 Show InChI InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223292 (CHEMBL249034 | N-(4-chlorobenzyl)-2-nitro-5-(piper...) Show SMILES [O-][N+](=O)c1ccc(cc1NCc1ccc(Cl)cc1)N1CCNCC1 Show InChI InChI=1S/C17H19ClN4O2/c18-14-3-1-13(2-4-14)12-20-16-11-15(5-6-17(16)22(23)24)21-9-7-19-8-10-21/h1-6,11,19-20H,7-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223281 (5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethy...) Show SMILES CC(Nc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1)c1ccccc1 |w:1.0| Show InChI InChI=1S/C19H24N4O2/c1-15(16-6-4-3-5-7-16)20-18-14-17(8-9-19(18)23(24)25)22-12-10-21(2)11-13-22/h3-9,14-15,20H,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223306 (CHEMBL248658 | N-(2-(2-methoxyphenoxy)ethyl)-5-(4-...) Show SMILES COc1ccccc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1 Show InChI InChI=1S/C20H26N4O4/c1-22-10-12-23(13-11-22)16-7-8-18(24(25)26)17(15-16)21-9-14-28-20-6-4-3-5-19(20)27-2/h3-8,15,21H,9-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223288 (CHEMBL399962 | N-(furan-2-ylmethyl)-2-nitro-5-(pip...) Show SMILES [O-][N+](=O)c1ccc(cc1NCc1ccco1)N1CCNCC1 Show InChI InChI=1S/C15H18N4O3/c20-19(21)15-4-3-12(18-7-5-16-6-8-18)10-14(15)17-11-13-2-1-9-22-13/h1-4,9-10,16-17H,5-8,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223309 (5-(4-methylpiperazin-1-yl)-2-nitro-N-(2-(o-tolylox...) Show SMILES CN1CCN(CC1)c1ccc(c(NCCOc2ccccc2C)c1)[N+]([O-])=O Show InChI InChI=1S/C20H26N4O3/c1-16-5-3-4-6-20(16)27-14-9-21-18-15-17(7-8-19(18)24(25)26)23-12-10-22(2)11-13-23/h3-8,15,21H,9-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223303 (1-methyl-4-(4-nitro-3-phenoxyphenyl)piperazine | C...) Show SMILES CN1CCN(CC1)c1ccc(c(Oc2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C17H19N3O3/c1-18-9-11-19(12-10-18)14-7-8-16(20(21)22)17(13-14)23-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223294 (CHEMBL401294 | N-benzyl-2-nitro-5-(piperazin-1-yl)...) Show SMILES [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCNCC1 Show InChI InChI=1S/C17H20N4O2/c22-21(23)17-7-6-15(20-10-8-18-9-11-20)12-16(17)19-13-14-4-2-1-3-5-14/h1-7,12,18-19H,8-11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223304 (2-nitro-N-phenethyl-5-(piperazin-1-yl)benzenamine ...) Show SMILES [O-][N+](=O)c1ccc(cc1NCCc1ccccc1)N1CCNCC1 Show InChI InChI=1S/C18H22N4O2/c23-22(24)18-7-6-16(21-12-10-19-11-13-21)14-17(18)20-9-8-15-4-2-1-3-5-15/h1-7,14,19-20H,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50223277 (2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonit...) Show SMILES CN1CCN(CC1)c1ccc(C#N)c(NCc2ccccc2)c1 Show InChI InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)18-8-7-17(14-20)19(13-18)21-15-16-5-3-2-4-6-16/h2-8,13,21H,9-12,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Binding affinity at 5HT2A receptor				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223293 (CHEMBL399478 | N-(4-chlorobenzyl)-5-(4-methylpiper...) Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccc(Cl)cc2)c1)[N+]([O-])=O Show InChI InChI=1S/C18H21ClN4O2/c1-21-8-10-22(11-9-21)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223305 (CHEMBL251005 | N-(furan-2-ylmethyl)-5-(4-methylpip...) Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccco2)c1)[N+]([O-])=O Show InChI InChI=1S/C16H20N4O3/c1-18-6-8-19(9-7-18)13-4-5-16(20(21)22)15(11-13)17-12-14-3-2-10-23-14/h2-5,10-11,17H,6-9,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223290 (CHEMBL398337 | N-(2-(4-tert-butylphenoxy)ethyl)-5-...) Show SMILES CN1CCN(CC1)c1ccc(c(NCCOc2ccc(cc2)C(C)(C)C)c1)[N+]([O-])=O Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)18-5-8-20(9-6-18)30-16-11-24-21-17-19(7-10-22(21)27(28)29)26-14-12-25(4)13-15-26/h5-10,17,24H,11-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223277 (2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonit...) Show SMILES CN1CCN(CC1)c1ccc(C#N)c(NCc2ccccc2)c1 Show InChI InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)18-8-7-17(14-20)19(13-18)21-15-16-5-3-2-4-6-16/h2-8,13,21H,9-12,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223297 (2-nitro-N-(2-phenoxyethyl)-5-(piperazin-1-yl)benze...) Show SMILES [O-][N+](=O)c1ccc(cc1NCCOc1ccccc1)N1CCNCC1 Show InChI InChI=1S/C18H22N4O3/c23-22(24)18-7-6-15(21-11-8-19-9-12-21)14-17(18)20-10-13-25-16-4-2-1-3-5-16/h1-7,14,19-20H,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223285 (5-(4-methylpiperazin-1-yl)-2-nitro-N-phenethylbenz...) Show SMILES CN1CCN(CC1)c1ccc(c(NCCc2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C19H24N4O2/c1-21-11-13-22(14-12-21)17-7-8-19(23(24)25)18(15-17)20-10-9-16-5-3-2-4-6-16/h2-8,15,20H,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223279 (2-nitro-5-(piperazin-1-yl)-N-(2-(o-tolyloxy)ethyl)...) Show SMILES Cc1ccccc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C19H24N4O3/c1-15-4-2-3-5-19(15)26-13-10-21-17-14-16(6-7-18(17)23(24)25)22-11-8-20-9-12-22/h2-7,14,20-21H,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223283 (CHEMBL400660 | N-(2-amino-4-(4-methylpiperazin-1-y...) Show SMILES CN1CCN(CC1)c1ccc(N(Cc2ccccc2)C(C)=O)c(N)c1 Show InChI InChI=1S/C20H26N4O/c1-16(25)24(15-17-6-4-3-5-7-17)20-9-8-18(14-19(20)21)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223278 (CHEMBL399681 | N-(4-fluorobenzyl)-5-(4-methylpiper...) Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccc(F)cc2)c1)[N+]([O-])=O Show InChI InChI=1S/C18H21FN4O2/c1-21-8-10-22(11-9-21)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223302 (CHEMBL248845 | N-(2-(4-methoxyphenoxy)ethyl)-5-(4-...) Show SMILES COc1ccc(OCCNc2cc(ccc2[N+]([O-])=O)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C20H26N4O4/c1-22-10-12-23(13-11-22)16-3-8-20(24(25)26)19(15-16)21-9-14-28-18-6-4-17(27-2)5-7-18/h3-8,15,21H,9-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223298 (1-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl)...) Show SMILES CN1CCN(CC1)c1ccc(c(c1)-n1nc(C)cc1C)[N+]([O-])=O Show InChI InChI=1S/C16H21N5O2/c1-12-10-13(2)20(17-12)16-11-14(4-5-15(16)21(22)23)19-8-6-18(3)7-9-19/h4-5,10-11H,6-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223284 (CHEMBL400349 | N-(2-(4-chlorophenoxy)ethyl)-2-nitr...) Show SMILES [O-][N+](=O)c1ccc(cc1NCCOc1ccc(Cl)cc1)N1CCNCC1 Show InChI InChI=1S/C18H21ClN4O3/c19-14-1-4-16(5-2-14)26-12-9-21-17-13-15(3-6-18(17)23(24)25)22-10-7-20-8-11-22/h1-6,13,20-21H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223311 (2-(benzyloxy)-N-(furan-2-ylmethyl)-5-(4-methylpipe...) Show SMILES CN1CCN(CC1)c1ccc(OCc2ccccc2)c(NCc2ccco2)c1 Show InChI InChI=1S/C23H27N3O2/c1-25-11-13-26(14-12-25)20-9-10-23(28-18-19-6-3-2-4-7-19)22(16-20)24-17-21-8-5-15-27-21/h2-10,15-16,24H,11-14,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	402	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223310 (CHEMBL248985 | N-benzyl-2-methoxy-5-(4-methylpiper...) Show SMILES COc1ccc(cc1NCc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N3O/c1-21-10-12-22(13-11-21)17-8-9-19(23-2)18(14-17)20-15-16-6-4-3-5-7-16/h3-9,14,20H,10-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	409	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223286 (CHEMBL250804 | methyl 4-(4-methylpiperazin-1-yl)-2...) Show SMILES COC(=O)c1ccc(cc1NCCc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C21H27N3O2/c1-23-12-14-24(15-13-23)18-8-9-19(21(25)26-2)20(16-18)22-11-10-17-6-4-3-5-7-17/h3-9,16,22H,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223299 (CHEMBL250661 | N-(5-(4-methylpiperazin-1-yl)-2-nit...) Show SMILES CN1CCN(CC1)c1ccc(c(Nn2cccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C15H19N5O2/c1-17-8-10-18(11-9-17)13-4-5-15(20(21)22)14(12-13)16-19-6-2-3-7-19/h2-7,12,16H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223301 (1-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl)...) Show SMILES Cc1cc(C)n(n1)-c1cc(ccc1[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C15H19N5O2/c1-11-9-12(2)19(17-11)15-10-13(3-4-14(15)20(21)22)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	482	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223295 (CHEMBL402923 | N-benzyl-2-(benzyloxy)-5-(4-methylp...) Show SMILES CN1CCN(CC1)c1ccc(OCc2ccccc2)c(NCc2ccccc2)c1 Show InChI InChI=1S/C25H29N3O/c1-27-14-16-28(17-15-27)23-12-13-25(29-20-22-10-6-3-7-11-22)24(18-23)26-19-21-8-4-2-5-9-21/h2-13,18,26H,14-17,19-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	928	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223289 (2-methoxy-5-(4-methylpiperazin-1-yl)-N-phenethylbe...) Show SMILES COc1ccc(cc1NCCc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C20H27N3O/c1-22-12-14-23(15-13-22)18-8-9-20(24-2)19(16-18)21-11-10-17-6-4-3-5-7-17/h3-9,16,21H,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223307 (2-(5-(4-methylpiperazin-1-yl)-2-nitrophenyl)-4-phe...) Show SMILES CN1CCN(CC1)c1ccc(c(c1)-n1nc(-c2ccccc2)c2ccccc2c1=O)[N+]([O-])=O Show InChI InChI=1S/C25H23N5O3/c1-27-13-15-28(16-14-27)19-11-12-22(30(32)33)23(17-19)29-25(31)21-10-6-5-9-20(21)24(26-29)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223291 (5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-yl...) Show SMILES CN1CCN(CC1)c1ccc(c(NCc2cccnc2)c1)[N+]([O-])=O Show InChI InChI=1S/C17H21N5O2/c1-20-7-9-21(10-8-20)15-4-5-17(22(23)24)16(11-15)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223280 (2-(benzyloxy)-5-(4-methylpiperazin-1-yl)-N-pheneth...) Show SMILES CN1CCN(CC1)c1ccc(OCc2ccccc2)c(NCCc2ccccc2)c1 Show InChI InChI=1S/C26H31N3O/c1-28-16-18-29(19-17-28)24-12-13-26(30-21-23-10-6-3-7-11-23)25(20-24)27-15-14-22-8-4-2-5-9-22/h2-13,20,27H,14-19,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223300 (2-(furan-2-ylmethylamino)-4-(4-methylpiperazin-1-y...) Show SMILES CN1CCN(CC1)c1ccc(C#N)c(NCc2ccco2)c1 Show InChI InChI=1S/C17H20N4O/c1-20-6-8-21(9-7-20)15-5-4-14(12-18)17(11-15)19-13-16-3-2-10-22-16/h2-5,10-11,19H,6-9,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223296 (CHEMBL250663 | N1-(2-aminoethyl)-N3-benzyl-4-nitro...) Show SMILES NCCNc1ccc(c(NCc2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C15H18N4O2/c16-8-9-17-13-6-7-15(19(20)21)14(10-13)18-11-12-4-2-1-3-5-12/h1-7,10,17-18H,8-9,11,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223282 (2-nitro-5-(piperazin-1-yl)-N-(pyridin-3-ylmethyl)b...) Show SMILES [O-][N+](=O)c1ccc(cc1NCc1cccnc1)N1CCNCC1 Show InChI InChI=1S/C16H19N5O2/c22-21(23)16-4-3-14(20-8-6-17-7-9-20)10-15(16)19-12-13-2-1-5-18-11-13/h1-5,10-11,17,19H,6-9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223287 (CHEMBL399024 | methyl 2-(benzylamino)-5-(4-methylp...) Show SMILES COC(=O)c1cc(ccc1NCc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C20H25N3O2/c1-22-10-12-23(13-11-22)17-8-9-19(18(14-17)20(24)25-2)21-15-16-6-4-3-5-7-16/h3-9,14,21H,10-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50223308 (CHEMBL398481 | N-benzhydryl-5-(4-methylpiperazin-1...) Show SMILES CN1CCN(CC1)c1ccc(c(NC(c2ccccc2)c2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C24H26N4O2/c1-26-14-16-27(17-15-26)21-12-13-23(28(29)30)22(18-21)25-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24-25H,14-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6224-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.016 BindingDB Entry DOI: 10.7270/Q2D79B43
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4626 (Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of EGFR by virtual HTS assay				Bioorg Med Chem Lett 19: 1349-56 (2009) Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50304196 (CHEMBL593860 | N-[4-(Benzo[d]thiazol-2''-yl)-3-hyd...) Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-23(18-27(28)39-3)30(33-20-32-25)34-21-9-10-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of wild type EGF-R by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50304196 (CHEMBL593860 | N-[4-(Benzo[d]thiazol-2''-yl)-3-hyd...) Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-23(18-27(28)39-3)30(33-20-32-25)34-21-9-10-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of ERBB2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50304197 (CHEMBL593987 | N-(4-(benzo[d]thiazol-2-yl)-3-fluor...) Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-A by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50304197 (CHEMBL593987 | N-(4-(benzo[d]thiazol-2-yl)-3-fluor...) Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of TIE2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50304207 (CHEMBL595615 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...) Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H32N6O2S/c1-35-13-15-36(16-14-35)12-5-17-38-27-19-25-23(18-26(27)37-2)29(32-20-31-25)33-22-10-8-21(9-11-22)30-34-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of VEGFR2 by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50304207 (CHEMBL595615 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...) Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H32N6O2S/c1-35-13-15-36(16-14-35)12-5-17-38-27-19-25-23(18-26(27)37-2)29(32-20-31-25)33-22-10-8-21(9-11-22)30-34-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-A by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50304220 (CHEMBL593911 | N-[4-(Benzo[d]thiazol-2''-yl)-3-met...) Show SMILES COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-18-23-25(19-27(28)39-3)32-20-33-30(23)34-21-9-10-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of wild type EGF-R by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50304198 (CHEMBL593274 | N-(4-(benzo[d]thiazol-2-yl)-3-chlor...) Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of wild type EGF-R by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50304200 (CHEMBL596292 | N-[4-(6''-Chlorobenzo[d]thiazol-2''...) Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-24-23(17-26(27)38-2)29(33-19-32-24)34-22-7-4-20(5-8-22)30-35-25-16-21(31)6-9-28(25)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-A by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4626 (Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of ErbB2 by virtual HTS assay				Bioorg Med Chem Lett 19: 1349-56 (2009) Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50304199 (CHEMBL604992 | N-[4-(6''-Methoxybenzo[d]thiazol-2'...) Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(F)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-25-23(17-26(27)38-2)29(33-19-32-25)34-22-7-4-20(5-8-22)30-35-24-9-6-21(31)16-28(24)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-A by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50304194 (CHEMBL594228 | N-[4-(Benzo[d]thiazol-2''-yl)-2-(tr...) Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-21(17-26(27)38-2)29(33-19-32-25)34-23-9-8-20(16-22(23)31)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of Aurora-A by microplate scintillation counting				Bioorg Med Chem 17: 6728-37 (2009) Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC
					More data for this Ligand-Target Pair

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