Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50011169   

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 1F (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1F receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1E receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D3 was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2B receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound for C-C chemokine receptor type 2B was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 7 receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2C receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50233075 (3-(3,4-dichlorophenyl)-N-((1s,4s)-4-((4-(5-hydroxy...) Show SMILES Oc1ccc2[nH]cc(C3CCN(C[C@H]4CC[C@H](CC4)NC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 |wU:13.12,16.19,(-.39,-.49,;.95,-1.26,;.94,-2.8,;2.28,-3.57,;3.62,-2.8,;5.1,-3.27,;6,-2.01,;5.08,-.77,;5.54,.7,;7.05,1.02,;7.52,2.48,;6.49,3.62,;6.96,5.09,;8.46,5.41,;8.93,6.87,;10.44,7.19,;11.47,6.04,;10.99,4.58,;9.49,4.26,;12.98,6.36,;14.01,5.22,;15.51,5.53,;13.53,3.75,;14.56,2.61,;14.08,1.14,;12.57,.83,;12.09,-.63,;13.12,-1.78,;12.64,-3.25,;14.63,-1.46,;15.67,-2.6,;15.1,0,;4.98,3.3,;4.51,1.83,;3.61,-1.25,;2.27,-.49,)| Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-8-3-19(15-27(26)31)4-10-29(36)33-22-5-1-20(2-6-22)18-34-13-11-21(12-14-34)25-17-32-28-9-7-23(35)16-24(25)28/h3-4,7-10,15-17,20-22,32,35H,1-2,5-6,11-14,18H2,(H,33,36)/b10-4+/t20-,22+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50233075 (3-(3,4-dichlorophenyl)-N-((1s,4s)-4-((4-(5-hydroxy...) Show SMILES Oc1ccc2[nH]cc(C3CCN(C[C@H]4CC[C@H](CC4)NC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 |wU:13.12,16.19,(-.39,-.49,;.95,-1.26,;.94,-2.8,;2.28,-3.57,;3.62,-2.8,;5.1,-3.27,;6,-2.01,;5.08,-.77,;5.54,.7,;7.05,1.02,;7.52,2.48,;6.49,3.62,;6.96,5.09,;8.46,5.41,;8.93,6.87,;10.44,7.19,;11.47,6.04,;10.99,4.58,;9.49,4.26,;12.98,6.36,;14.01,5.22,;15.51,5.53,;13.53,3.75,;14.56,2.61,;14.08,1.14,;12.57,.83,;12.09,-.63,;13.12,-1.78,;12.64,-3.25,;14.63,-1.46,;15.67,-2.6,;15.1,0,;4.98,3.3,;4.51,1.83,;3.61,-1.25,;2.27,-.49,)| Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-8-3-19(15-27(26)31)4-10-29(36)33-22-5-1-20(2-6-22)18-34-13-11-21(12-14-34)25-17-32-28-9-7-23(35)16-24(25)28/h3-4,7-10,15-17,20-22,32,35H,1-2,5-6,11-14,18H2,(H,33,36)/b10-4+/t20-,22+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 6 receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50233073 (CHEMBL399472 | N-((1s,4s)-4-((4-(1H-indol-3-yl)pip...) Show SMILES Clc1ccc(\C=C\C(=O)N[C@@H]2CC[C@H](CN3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc1Cl |wU:13.13,10.9,(-3.35,-3.97,;-2.87,-2.51,;-3.9,-1.36,;-3.42,.1,;-1.91,.41,;-1.44,1.87,;-2.46,3.02,;-1.99,4.48,;-.48,4.8,;-3.01,5.63,;-4.52,5.31,;-5.55,6.46,;-7.06,6.14,;-7.53,4.68,;-9.03,4.36,;-9.5,2.89,;-8.47,1.75,;-8.94,.29,;-10.45,-.04,;-11.49,1.1,;-11.01,2.57,;-10.91,-1.5,;-9.99,-2.74,;-10.89,-4,;-12.38,-3.53,;-13.72,-4.3,;-15.05,-3.53,;-15.05,-1.99,;-13.72,-1.22,;-12.38,-1.98,;-6.5,3.53,;-5,3.85,;-.89,-.73,;-1.36,-2.19,;-.33,-3.33,)| Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-7-20(17-27(26)31)8-12-29(35)33-23-9-5-21(6-10-23)19-34-15-13-22(14-16-34)25-18-32-28-4-2-1-3-24(25)28/h1-4,7-8,11-12,17-18,21-23,32H,5-6,9-10,13-16,19H2,(H,33,35)/b12-8+/t21-,23+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50233075 (3-(3,4-dichlorophenyl)-N-((1s,4s)-4-((4-(5-hydroxy...) Show SMILES Oc1ccc2[nH]cc(C3CCN(C[C@H]4CC[C@H](CC4)NC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 |wU:13.12,16.19,(-.39,-.49,;.95,-1.26,;.94,-2.8,;2.28,-3.57,;3.62,-2.8,;5.1,-3.27,;6,-2.01,;5.08,-.77,;5.54,.7,;7.05,1.02,;7.52,2.48,;6.49,3.62,;6.96,5.09,;8.46,5.41,;8.93,6.87,;10.44,7.19,;11.47,6.04,;10.99,4.58,;9.49,4.26,;12.98,6.36,;14.01,5.22,;15.51,5.53,;13.53,3.75,;14.56,2.61,;14.08,1.14,;12.57,.83,;12.09,-.63,;13.12,-1.78,;12.64,-3.25,;14.63,-1.46,;15.67,-2.6,;15.1,0,;4.98,3.3,;4.51,1.83,;3.61,-1.25,;2.27,-.49,)| Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-8-3-19(15-27(26)31)4-10-29(36)33-22-5-1-20(2-6-22)18-34-13-11-21(12-14-34)25-17-32-28-9-7-23(35)16-24(25)28/h3-4,7-10,15-17,20-22,32,35H,1-2,5-6,11-14,18H2,(H,33,36)/b10-4+/t20-,22+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50103141 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[(1R,5S)-3-(5-hyd...) Show SMILES Oc1ccc2[nH]cc(C3C[C@@H]4CC[C@H](C3)N4CCCCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |THB:16:15:8.14.9:11.12| Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-9-4-19(14-27(26)31)5-11-29(36)32-12-2-1-3-13-34-21-6-7-22(34)16-20(15-21)25-18-33-28-10-8-23(35)17-24(25)28/h4-5,8-11,14,17-18,20-22,33,35H,1-3,6-7,12-13,15-16H2,(H,32,36)/b11-5+/t20?,21-,22+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50103141 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[(1R,5S)-3-(5-hyd...) Show SMILES Oc1ccc2[nH]cc(C3C[C@@H]4CC[C@H](C3)N4CCCCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |THB:16:15:8.14.9:11.12| Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-9-4-19(14-27(26)31)5-11-29(36)32-12-2-1-3-13-34-21-6-7-22(34)16-20(15-21)25-18-33-28-10-8-23(35)17-24(25)28/h4-5,8-11,14,17-18,20-22,33,35H,1-3,6-7,12-13,15-16H2,(H,32,36)/b11-5+/t20?,21-,22+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50233071 (3-(3,4-dichlorophenyl)-N-((1r,4r)-4-((4-(5-hydroxy...) Show SMILES Oc1ccc2[nH]cc(C3CCN(C[C@H]4CC[C@@H](CC4)NC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 |wU:13.12,wD:16.19,(-18.39,-14.3,;-17.07,-15.07,;-17.07,-16.62,;-15.74,-17.39,;-14.39,-16.62,;-12.92,-17.09,;-12.02,-15.83,;-12.93,-14.58,;-12.48,-13.12,;-10.96,-12.79,;-10.49,-11.33,;-11.52,-10.19,;-11.05,-8.73,;-9.54,-8.4,;-9.08,-6.94,;-7.57,-6.63,;-6.53,-7.77,;-7.01,-9.23,;-8.51,-9.55,;-5.03,-7.45,;-4,-8.6,;-2.49,-8.28,;-4.48,-10.06,;-3.45,-11.21,;-3.93,-12.67,;-5.44,-12.99,;-5.92,-14.45,;-4.89,-15.6,;-5.36,-17.06,;-3.37,-15.27,;-2.34,-16.41,;-2.9,-13.81,;-13.03,-10.52,;-13.51,-11.99,;-14.4,-15.07,;-15.74,-14.3,)| Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-8-3-19(15-27(26)31)4-10-29(36)33-22-5-1-20(2-6-22)18-34-13-11-21(12-14-34)25-17-32-28-9-7-23(35)16-24(25)28/h3-4,7-10,15-17,20-22,32,35H,1-2,5-6,11-14,18H2,(H,33,36)/b10-4+/t20-,22-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2B receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50103141 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[(1R,5S)-3-(5-hyd...) Show SMILES Oc1ccc2[nH]cc(C3C[C@@H]4CC[C@H](C3)N4CCCCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |THB:16:15:8.14.9:11.12| Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-9-4-19(14-27(26)31)5-11-29(36)32-12-2-1-3-13-34-21-6-7-22(34)16-20(15-21)25-18-33-28-10-8-23(35)17-24(25)28/h4-5,8-11,14,17-18,20-22,33,35H,1-3,6-7,12-13,15-16H2,(H,32,36)/b11-5+/t20?,21-,22+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50103141 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[(1R,5S)-3-(5-hyd...) Show SMILES Oc1ccc2[nH]cc(C3C[C@@H]4CC[C@H](C3)N4CCCCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |THB:16:15:8.14.9:11.12| Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-9-4-19(14-27(26)31)5-11-29(36)32-12-2-1-3-13-34-21-6-7-22(34)16-20(15-21)25-18-33-28-10-8-23(35)17-24(25)28/h4-5,8-11,14,17-18,20-22,33,35H,1-3,6-7,12-13,15-16H2,(H,32,36)/b11-5+/t20?,21-,22+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50233072 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[4-(1H-indol-3-yl...) Show SMILES Clc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CN3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc1Cl |wU:13.13,wD:10.9,(5.81,-3.22,;5.44,-1.73,;3.95,-1.29,;3.58,.19,;4.67,1.26,;4,2.65,;2.46,2.74,;1.78,4.12,;2.64,5.4,;.24,4.24,;-.37,2.8,;-1.9,2.63,;-2.53,1.21,;-1.6,-.02,;-2.21,-1.62,;-1.13,-2.94,;-.09,-4.04,;-.48,-5.51,;-1.97,-5.88,;-3.07,-4.8,;-2.65,-3.31,;-2.39,-7.37,;-1.44,-8.57,;-2.3,-9.85,;-3.77,-9.44,;-5.17,-10.22,;-6.5,-9.45,;-6.5,-7.91,;-5.17,-7.14,;-3.84,-7.9,;-.09,.16,;.54,1.56,;6.16,.84,;6.54,-.65,;8.03,-1.07,)| Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-7-20(17-27(26)31)8-12-29(35)33-23-9-5-21(6-10-23)19-34-15-13-22(14-16-34)25-18-32-28-4-2-1-3-24(25)28/h1-4,7-8,11-12,17-18,21-23,32H,5-6,9-10,13-16,19H2,(H,33,35)/b12-8+/t21-,23-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity relative to indolopiperidine (compound 1) for 5-hydroxytryptamine 7 receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity relative to indolopiperidine (compound 1) for Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 6 receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity relative to indolopiperidine (compound 1) for Dopamine receptor D3 was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1F (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1F receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2C receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1E receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50103142 ((E)-3-(3,4-Dichloro-phenyl)-N-{4-[(R)-3-((2S,7aS)-...) Show SMILES Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)| Show InChI InChI=1S/C31H35Cl2N3O2/c32-28-10-3-19(13-29(28)33)4-12-31(38)35-22-5-1-20(2-6-22)18-36-23-7-8-24(36)15-21(14-23)27-17-34-30-11-9-25(37)16-26(27)30/h3-4,9-13,16-17,20-24,34,37H,1-2,5-8,14-15,18H2,(H,35,38)/b12-4+/t20-,21-,22+,23-,24+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
					More data for this Ligand-Target Pair