Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'fabritius' and Initial = 'ch'   

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))	BDBM50166849 (CHEMBL3797651) Show SMILES COc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166863 (CHEMBL3799529) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166852 (CHEMBL3797717) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166844 (CHEMBL3798478) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50562615 (CHEMBL4764756) Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113057 BindingDB Entry DOI: 10.7270/Q20005TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166859 (CHEMBL3799120) Show SMILES CC(C)S(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H25F3N4O2S/c1-15(2)32(30,31)29-9-8-18-19(16-4-6-17(7-5-16)22(23,24)25)14-20(26-21(18)29)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166846 (CHEMBL3797435) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2S/c1-17(2)16-31(29,30)28-9-8-20-21(19-6-4-18(15-24)5-7-19)14-22(25-23(20)28)27-12-10-26(3)11-13-27/h4-9,14,17H,10-13,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166861 (CHEMBL3799448) Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCOCC1 Show InChI InChI=1S/C26H23NO5/c1-14-3-4-17(11-15(14)2)21(28)13-32-26(31)16-7-9-20(10-8-16)27-24(29)22-18-5-6-19(12-18)23(22)25(27)30/h3-11,18-19,29-30H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166862 (CHEMBL3798490) Show SMILES COCCS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H21NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11,25-26H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166853 (CHEMBL3798953) Show SMILES CCc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N4O2S/c1-5-19-6-8-20(9-7-19)22-16-23(27-14-12-26(4)13-15-27)25-24-21(22)10-11-28(24)31(29,30)17-18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50562617 (CHEMBL4752141) Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113057 BindingDB Entry DOI: 10.7270/Q20005TF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166856 (CHEMBL3800251) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cc(C)sc1C Show InChI InChI=1S/C22H30N4O2S2/c1-15(2)14-30(27,28)26-7-6-18-20(19-12-16(3)29-17(19)4)13-21(23-22(18)26)25-10-8-24(5)9-11-25/h6-7,12-13,15H,8-11,14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50562615 (CHEMBL4764756) Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113057 BindingDB Entry DOI: 10.7270/Q20005TF
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50562617 (CHEMBL4752141) Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113057 BindingDB Entry DOI: 10.7270/Q20005TF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166860 (CHEMBL3799330) Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C25H29F3N4O2S/c1-30-13-15-31(16-14-30)23-17-22(18-7-9-19(10-8-18)25(26,27)28)21-11-12-32(24(21)29-23)35(33,34)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166854 (CHEMBL3799638) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1 Show InChI InChI=1S/C22H28N4O2S/c1-17(2)16-29(27,28)26-10-9-19-20(18-7-5-4-6-8-18)15-21(23-22(19)26)25-13-11-24(3)12-14-25/h4-10,15,17H,11-14,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166847 (CHEMBL3800539) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H28N4O3S/c1-16(2)15-30(28,29)26-9-8-19-20(17-4-6-18(27)7-5-17)14-21(23-22(19)26)25-12-10-24(3)11-13-25/h4-9,14,16,27H,10-13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166849 (CHEMBL3797651) Show SMILES COc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166850 (CHEMBL3799547) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-18-19(17-6-4-5-7-20(17)23(24,25)26)14-21(27-22(18)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166859 (CHEMBL3799120) Show SMILES CC(C)S(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H25F3N4O2S/c1-15(2)32(30,31)29-9-8-18-19(16-4-6-17(7-5-16)22(23,24)25)14-20(26-21(18)29)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166843 (CHEMBL3797293) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1 Show InChI InChI=1S/C21H27N5O2S/c1-16(2)15-29(27,28)26-8-6-18-19(17-5-4-7-22-14-17)13-20(23-21(18)26)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166851 (CHEMBL3798840) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-8-7-19-20(17-5-4-6-18(13-17)23(24,25)26)14-21(27-22(19)30)29-11-9-28(3)10-12-29/h4-8,13-14,16H,9-12,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166862 (CHEMBL3798490) Show SMILES COCCS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H21NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11,25-26H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166858 (CHEMBL3800153) Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N4O2S/c1-25-9-11-26(12-10-25)18-13-17(14-3-5-15(6-4-14)20(21,22)23)16-7-8-27(19(16)24-18)30(2,28)29/h3-8,13H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166848 (CHEMBL3800150) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C29H34N4O3S/c1-22(2)21-37(34,35)33-14-13-26-27(19-28(30-29(26)33)32-17-15-31(3)16-18-32)24-9-11-25(12-10-24)36-20-23-7-5-4-6-8-23/h4-14,19,22H,15-18,20-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166855 (CHEMBL3800576) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cnn(C)c1 Show InChI InChI=1S/C20H28N6O2S/c1-15(2)14-29(27,28)26-6-5-17-18(16-12-21-24(4)13-16)11-19(22-20(17)26)25-9-7-23(3)8-10-25/h5-6,11-13,15H,7-10,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166847 (CHEMBL3800539) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H28N4O3S/c1-16(2)15-30(28,29)26-9-8-19-20(17-4-6-18(27)7-5-17)14-21(23-22(19)26)25-12-10-24(3)11-13-25/h4-9,14,16,27H,10-13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166850 (CHEMBL3799547) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-18-19(17-6-4-5-7-20(17)23(24,25)26)14-21(27-22(18)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166857 (CHEMBL3800055) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1c(C)noc1C |(.88,-6.25,;1.7,-5.33,;2.91,-5.58,;1.22,-3.86,;2.25,-2.71,;3.46,-2.96,;2.64,-3.88,;1.77,-1.24,;2.67,.02,;1.77,1.24,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,;-3.73,-1.54,;-3.73,-3.09,;-5.07,-3.85,;-6.41,-3.08,;-7.48,-3.69,;-6.4,-1.53,;-5.06,-.76,;-1.03,3.1,;.22,4,;1.39,3.61,;-.27,5.46,;-1.81,5.46,;-2.28,3.99,;-3.45,3.59,)| Show InChI InChI=1S/C21H29N5O3S/c1-14(2)13-30(27,28)26-7-6-17-18(20-15(3)23-29-16(20)4)12-19(22-21(17)26)25-10-8-24(5)9-11-25/h6-7,12,14H,8-11,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166846 (CHEMBL3797435) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2S/c1-17(2)16-31(29,30)28-9-8-20-21(19-6-4-18(15-24)5-7-19)14-22(25-23(20)28)27-12-10-26(3)11-13-27/h4-9,14,17H,10-13,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166842 (CHEMBL3800442) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C21H27N5O3S/c1-15(2)14-30(28,29)26-7-6-17-18(16-4-5-20(27)22-13-16)12-19(23-21(17)26)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166848 (CHEMBL3800150) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C29H34N4O3S/c1-22(2)21-37(34,35)33-14-13-26-27(19-28(30-29(26)33)32-17-15-31(3)16-18-32)24-9-11-25(12-10-24)36-20-23-7-5-4-6-8-23/h4-14,19,22H,15-18,20-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166852 (CHEMBL3797717) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166844 (CHEMBL3798478) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	382	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166854 (CHEMBL3799638) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1 Show InChI InChI=1S/C22H28N4O2S/c1-17(2)16-29(27,28)26-10-9-19-20(18-7-5-4-6-8-18)15-21(23-22(19)26)25-13-11-24(3)12-14-25/h4-10,15,17H,11-14,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	547	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166853 (CHEMBL3798953) Show SMILES CCc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N4O2S/c1-5-19-6-8-20(9-7-19)22-16-23(27-14-12-26(4)13-15-27)25-24-21(22)10-11-28(24)31(29,30)17-18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166851 (CHEMBL3798840) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-8-7-19-20(17-5-4-6-18(13-17)23(24,25)26)14-21(27-22(19)30)29-11-9-28(3)10-12-29/h4-8,13-14,16H,9-12,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166856 (CHEMBL3800251) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cc(C)sc1C Show InChI InChI=1S/C22H30N4O2S2/c1-15(2)14-30(27,28)26-7-6-18-20(19-12-16(3)29-17(19)4)13-21(23-22(18)26)25-10-8-24(5)9-11-25/h6-7,12-13,15H,8-11,14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166858 (CHEMBL3800153) Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(C)(=O)=O Show InChI InChI=1S/C20H21F3N4O2S/c1-25-9-11-26(12-10-25)18-13-17(14-3-5-15(6-4-14)20(21,22)23)16-7-8-27(19(16)24-18)30(2,28)29/h3-8,13H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166863 (CHEMBL3799529) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166845 (CHEMBL3799430) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C25H33N5O3S/c1-18(2)17-34(32,33)30-11-10-21-22(19-6-8-20(9-7-19)25(31)27(3)4)16-23(26-24(21)30)29-14-12-28(5)13-15-29/h6-11,16,18H,12-15,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50166845 (CHEMBL3799430) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C25H33N5O3S/c1-18(2)17-34(32,33)30-11-10-21-22(19-6-8-20(9-7-19)25(31)27(3)4)16-23(26-24(21)30)29-14-12-28(5)13-15-29/h6-11,16,18H,12-15,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166842 (CHEMBL3800442) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C21H27N5O3S/c1-15(2)14-30(28,29)26-7-6-17-18(16-4-5-20(27)22-13-16)12-19(23-21(17)26)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166860 (CHEMBL3799330) Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C25H29F3N4O2S/c1-30-13-15-31(16-14-30)23-17-22(18-7-9-19(10-8-18)25(26,27)28)21-11-12-32(24(21)29-23)35(33,34)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166843 (CHEMBL3797293) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1 Show InChI InChI=1S/C21H27N5O2S/c1-16(2)15-29(27,28)26-8-6-18-19(17-5-4-7-22-14-17)13-20(23-21(18)26)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166857 (CHEMBL3800055) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1c(C)noc1C |(.88,-6.25,;1.7,-5.33,;2.91,-5.58,;1.22,-3.86,;2.25,-2.71,;3.46,-2.96,;2.64,-3.88,;1.77,-1.24,;2.67,.02,;1.77,1.24,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,;-3.73,-1.54,;-3.73,-3.09,;-5.07,-3.85,;-6.41,-3.08,;-7.48,-3.69,;-6.4,-1.53,;-5.06,-.76,;-1.03,3.1,;.22,4,;1.39,3.61,;-.27,5.46,;-1.81,5.46,;-2.28,3.99,;-3.45,3.59,)| Show InChI InChI=1S/C21H29N5O3S/c1-14(2)13-30(27,28)26-7-6-17-18(20-15(3)23-29-16(20)4)12-19(22-21(17)26)25-10-8-24(5)9-11-25/h6-7,12,14H,8-11,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166855 (CHEMBL3800576) Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cnn(C)c1 Show InChI InChI=1S/C20H28N6O2S/c1-15(2)14-29(27,28)26-6-5-17-18(16-12-21-24(4)13-16)11-19(22-20(17)26)25-9-7-23(3)8-10-25/h5-6,11-13,15H,7-10,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166861 (CHEMBL3799448) Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCOCC1 Show InChI InChI=1S/C26H23NO5/c1-14-3-4-17(11-15(14)2)21(28)13-32-26(31)16-7-9-20(10-8-16)27-24(29)22-18-5-6-19(12-18)23(22)25(27)30/h3-11,18-19,29-30H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508562 (CHEMBL4541928) Show SMILES CN1CCCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H29N7O/c1-35-12-3-4-21(18-35)34-29(37)23-7-9-30-17-26(23)33-22-15-24(28-25(16-22)31-10-11-32-28)20-6-5-19-8-13-36(2)27(19)14-20/h5-11,13-17,21,33H,3-4,12,18H2,1-2H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508559 (CHEMBL4592338) Show SMILES CN1CC[C@H](C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1 |r| Show InChI InChI=1S/C28H26N6OS/c1-17-16-36-26-4-3-18(11-22(17)26)23-12-20(13-24-27(23)31-9-8-30-24)32-25-14-29-7-5-21(25)28(35)33-19-6-10-34(2)15-19/h3-5,7-9,11-14,16,19,32H,6,10,15H2,1-2H3,(H,33,35)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair

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