Compile Data Set for Download or QSAR

Found 4220 hits with Last Name = 'richard' and Initial = 's'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0558	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183152 (CHEMBL206580 | N-(4-(trifluoromethyl)benzyl)-N-iso...) Show SMILES CC(C)CN(Cc1ccc(cc1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-7-9-21-10-8-16)12-14-3-5-15(6-4-14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194072 (CHEMBL220476 | syn-7-(6-chloro-pyridin-3-yl)-2-aza...) Show SMILES Clc1ccc(cn1)C1C2CCC1NC2 |THB:4:7:10.9:13.12| Show InChI InChI=1S/C11H13ClN2/c12-10-4-2-8(6-14-10)11-7-1-3-9(11)13-5-7/h2,4,6-7,9,11,13H,1,3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0785	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391708 (CHEMBL1767136) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	<0.200	<-55.4	1	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM50341447 (4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...) Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation prox...				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391698 (CHEMBL2146801) Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r| Show InChI InChI=1S/C22H25ClN4O2/c1-29-12-11-26-10-2-3-18(26)15-27-22(28)19-8-9-24-14-20(19)21(25-27)13-16-4-6-17(23)7-5-16/h4-9,14,18H,2-3,10-13,15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183124 (CHEMBL381373 | N-(3-(trifluoromethyl)benzyl)-N-iso...) Show SMILES CC(C)CN(Cc1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-6-8-21-9-7-16)12-14-4-3-5-15(10-14)17(18,19)20/h3-5,10,13,16,21H,6-9,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183122 (4-((isobutyl(piperidin-4-yl)amino)methyl)benzonitr...) Show SMILES CC(C)CN(Cc1ccc(cc1)C#N)C1CCNCC1 Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-7-9-19-10-8-17)13-16-5-3-15(11-18)4-6-16/h3-6,14,17,19H,7-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183121 (CHEMBL441358 | N-(4-fluoro-2-(trifluoromethyl)benz...) Show SMILES CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H24F4N2/c1-12(2)10-23(15-5-7-22-8-6-15)11-13-3-4-14(18)9-16(13)17(19,20)21/h3-4,9,12,15,22H,5-8,10-11H2,1-2H3	PDB 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
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391702 (CHEMBL2146809) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)17-5-2-10-22-19(17)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194070 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2 |THB:4:7:14:12.11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194070 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2 |THB:4:7:14:12.11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391707 (CHEMBL2146805) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)17-8-9-22-12-18(17)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391699 (CHEMBL2146484) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)19-17(5-2-10-22-19)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183126 (CHEMBL207374 | N-(2,4-dimethylbenzyl)-N-isobutylpi...) Show SMILES CC(C)CN(Cc1ccc(C)cc1C)C1CCNCC1 Show InChI InChI=1S/C18H30N2/c1-14(2)12-20(18-7-9-19-10-8-18)13-17-6-5-15(3)11-16(17)4/h5-6,11,14,18-19H,7-10,12-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391697 (CHEMBL2146806) Show SMILES CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r| Show InChI InChI=1S/C23H27ClN4O/c1-2-3-12-27-13-4-5-19(27)16-28-23(29)20-10-11-25-15-21(20)22(26-28)14-17-6-8-18(24)9-7-17/h6-11,15,19H,2-5,12-14,16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183177 (4-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...) Show SMILES Fc1ccc(CN(CCCC#N)C2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C17H21F4N3/c18-14-4-3-13(16(11-14)17(19,20)21)12-24(10-2-1-7-22)15-5-8-23-9-6-15/h3-4,11,15,23H,1-2,5-6,8-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183154 (CHEMBL207067 | CHEMBL207214 | N-(4-fluoro-2-(trifl...) Show SMILES Fc1ccc(CN(CC2CC2)C2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C17H22F4N2/c18-14-4-3-13(16(9-14)17(19,20)21)11-23(10-12-1-2-12)15-5-7-22-8-6-15/h3-4,9,12,15,22H,1-2,5-8,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183141 (3-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...) Show SMILES Fc1ccc(CN(CCC#N)C2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C16H19F4N3/c17-13-3-2-12(15(10-13)16(18,19)20)11-23(9-1-6-21)14-4-7-22-8-5-14/h2-3,10,14,22H,1,4-5,7-9,11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183136 (CHEMBL208533 | N-(2-chloro-3-(trifluoromethyl)benz...) Show SMILES CC(C)CN(Cc1cccc(c1Cl)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H24ClF3N2/c1-12(2)10-23(14-6-8-22-9-7-14)11-13-4-3-5-15(16(13)18)17(19,20)21/h3-5,12,14,22H,6-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183137 (1-(2-cyclohexyl-4-methylpentyl)-3-ethynylbenzene f...) Show SMILES CC(C)CN(Cc1cccc(c1)C#N)C1CCNCC1 Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-6-8-19-9-7-17)13-16-5-3-4-15(10-16)11-18/h3-5,10,14,17,19H,6-9,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391710 (CHEMBL2146803) Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C23H26ClN3O2/c1-29-14-13-26-12-4-5-19(26)16-27-23(28)21-7-3-2-6-20(21)22(25-27)15-17-8-10-18(24)11-9-17/h2-3,6-11,19H,4-5,12-16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50555343 (CHEMBL4782111 | US11306078, Example 4.032) Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to SNAP-tag fused human CXCR7 expressed in HEK293 cells by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01588 BindingDB Entry DOI: 10.7270/Q20P13P3
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391704 (CHEMBL2146811) Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r| Show InChI InChI=1S/C22H25ClN4O2/c1-29-13-12-26-11-3-4-18(26)15-27-22(28)19-5-2-10-24-21(19)20(25-27)14-16-6-8-17(23)9-7-16/h2,5-10,18H,3-4,11-15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50391696 (CHEMBL2146813) Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccncc23)cc1 |r| Show InChI InChI=1S/C38H48ClN5O2/c39-32-15-11-31(12-16-32)27-37-36-28-40-20-19-35(36)38(45)44(41-37)29-33-10-7-25-43(33)24-6-3-9-30-13-17-34(18-14-30)46-26-8-23-42-21-4-1-2-5-22-42/h11-20,28,33H,1-10,21-27,29H2/t33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation prox...				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183135 (4-((2-(trifluoromethyl)benzyl)(piperidin-4-yl)amin...) Show SMILES FC(F)(F)c1ccccc1CN(CCCC#N)C1CCNCC1 Show InChI InChI=1S/C17H22F3N3/c18-17(19,20)16-6-2-1-5-14(16)13-23(12-4-3-9-21)15-7-10-22-11-8-15/h1-2,5-6,15,22H,3-4,7-8,10-13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391700 (CHEMBL2146807) Show SMILES CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r| Show InChI InChI=1S/C23H27ClN4O/c1-2-3-13-27-14-5-6-19(27)16-28-23(29)22-20(7-4-12-25-22)21(26-28)15-17-8-10-18(24)11-9-17/h4,7-12,19H,2-3,5-6,13-16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391703 (CHEMBL2146810) Show SMILES CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r| Show InChI InChI=1S/C23H27ClN4O/c1-2-3-13-27-14-5-6-19(27)16-28-23(29)20-7-4-12-25-22(20)21(26-28)15-17-8-10-18(24)11-9-17/h4,7-12,19H,2-3,5-6,13-16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391706 (CHEMBL2146804) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)18-12-22-9-8-17(18)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183173 (4-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...) Show SMILES CC(C)(CCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1)C#N Show InChI InChI=1S/C19H25F4N3/c1-18(2,13-24)7-10-26(16-5-8-25-9-6-16)12-14-3-4-15(20)11-17(14)19(21,22)23/h3-4,11,16,25H,5-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194068 (7-(3-methylisoxazol-5-yl)-6-aza-bicyclo[2.2.1]hept...) Show SMILES Cc1cc(on1)C1C2CCC1NC2 |THB:3:6:9.8:12.11| Show InChI InChI=1S/C10H14N2O/c1-6-4-9(13-12-6)10-7-2-3-8(10)11-5-7/h4,7-8,10-11H,2-3,5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.763	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194069 (2-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...) Show SMILES Clc1ccc(cn1)C1CC2CNC1C2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.771	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183154 (CHEMBL207067 | CHEMBL207214 | N-(4-fluoro-2-(trifl...) Show SMILES Fc1ccc(CN(CC2CC2)C2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C17H22F4N2/c18-14-4-3-13(16(9-14)17(19,20)21)11-23(10-12-1-2-12)15-5-7-22-8-6-15/h3-4,9,12,15,22H,1-2,5-8,10-11H2	PDB 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
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183134 (CHEMBL207854 | N-(4-fluoro-2-(trifluoromethyl)benz...) Show SMILES CCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C16H22F4N2/c1-2-9-22(14-5-7-21-8-6-14)11-12-3-4-13(17)10-15(12)16(18,19)20/h3-4,10,14,21H,2,5-9,11H2,1H3	PDB 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
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391709 (CHEMBL2146802) Show SMILES CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C24H28ClN3O/c1-2-3-14-27-15-6-7-20(27)17-28-24(29)22-9-5-4-8-21(22)23(26-28)16-18-10-12-19(25)13-11-18/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183176 (CHEMBL207860 | N-(2,4-dichlorobenzyl)-N-isobutylpi...) Show SMILES CC(C)CN(Cc1ccc(Cl)cc1Cl)C1CCNCC1 Show InChI InChI=1S/C16H24Cl2N2/c1-12(2)10-20(15-5-7-19-8-6-15)11-13-3-4-14(17)9-16(13)18/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183166 (CHEMBL380191 | isobutyl-(4-methyl-benzyl)-piperidi...) Show SMILES CC(C)CN(Cc1ccc(C)cc1)C1CCNCC1 Show InChI InChI=1S/C17H28N2/c1-14(2)12-19(17-8-10-18-11-9-17)13-16-6-4-15(3)5-7-16/h4-7,14,17-18H,8-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12648 ((2S,5R)-5-Ethynyl-1-{N-(4-methyl-1-(4-carboxy-pyri...) Show SMILES CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C21H25N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11644 ((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391701 (CHEMBL2146808) Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r| Show InChI InChI=1S/C22H25ClN4O2/c1-29-13-12-26-11-3-4-18(26)15-27-22(28)21-19(5-2-10-24-21)20(25-27)14-16-6-8-17(23)9-7-16/h2,5-10,18H,3-4,11-15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500893 (CHEMBL3797662) Show SMILES CN(Cc1ccc(Cl)cc1Cl)c1ccnc(n1)N1CCC2(CCN(CC3CCCN3)C2)CC1 Show InChI InChI=1S/C25H34Cl2N6/c1-31(16-19-4-5-20(26)15-22(19)27)23-6-11-29-24(30-23)33-13-8-25(9-14-33)7-12-32(18-25)17-21-3-2-10-28-21/h4-6,11,15,21,28H,2-3,7-10,12-14,16-18H2,1H3	UniProtKB/SwissProt antibodypedia 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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183147 (CHEMBL207755 | N-(4-fluoro-2-(trifluoromethyl)benz...) Show SMILES COCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H24F4N2O/c1-24-10-2-9-23(15-5-7-22-8-6-15)12-13-3-4-14(18)11-16(13)17(19,20)21/h3-4,11,15,22H,2,5-10,12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183165 (CHEMBL438059 | N-(2-(methylthio)benzyl)-N-isobutyl...) Show SMILES CSc1ccccc1CN(CC(C)C)C1CCNCC1 Show InChI InChI=1S/C17H28N2S/c1-14(2)12-19(16-8-10-18-11-9-16)13-15-6-4-5-7-17(15)20-3/h4-7,14,16,18H,8-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183160 (2-((isobutyl(piperidin-4-yl)amino)methyl)benzonitr...) Show SMILES CC(C)CN(Cc1ccccc1C#N)C1CCNCC1 Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-7-9-19-10-8-17)13-16-6-4-3-5-15(16)11-18/h3-6,14,17,19H,7-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50341448 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194071 (3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...) Show SMILES Clc1ccc(cn1)C1CC2CC1CN2 |TLB:4:7:13.12:10| Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194071 (3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...) Show SMILES Clc1ccc(cn1)C1CC2CC1CN2 |TLB:4:7:13.12:10| Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391705 (CHEMBL2146812) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O |r| Show InChI InChI=1S/C19H20ClN5O/c1-24-10-2-3-15(24)12-25-19(26)18-17(21-8-9-22-18)16(23-25)11-13-4-6-14(20)7-5-13/h4-9,15H,2-3,10-12H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183146 (CHEMBL426316 | N-(4-fluoro-2-(trifluoromethyl)benz...) Show SMILES CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H24F4N2/c1-2-3-10-23(15-6-8-22-9-7-15)12-13-4-5-14(18)11-16(13)17(19,20)21/h4-5,11,15,22H,2-3,6-10,12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair

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