Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'hamann' and Initial = 'mt'   

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 2C (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250840 (5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...) Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT2B receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to sigma1 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250841 (CHEMBL463250 | N-3'-ethylaplysinopsin) Show SMILES CC\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C Show InChI InChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,18H,4H2,1-3H3/b14-9+,17-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250840 (5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...) Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250839 (6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...) Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3| Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250841 (CHEMBL463250 | N-3'-ethylaplysinopsin) Show SMILES CC\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C Show InChI InChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,18H,4H2,1-3H3/b14-9+,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to dopamine D4 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT7A receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT7 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT6 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT5A receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT3 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT1E receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT1D receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT1B receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to KOR (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to DOR (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to adrenoceptor alpha 2B (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to adrenoceptor alpha 2A (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to adrenoceptor alpha 1B (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to adrenoceptor alpha 1A (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to beta1 adrenoceptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to adrenoceptor alpha 2C (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to sigma2 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to dopamine D5 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to histamine H2 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to histamine H4 receptor (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor M1 (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor M2 (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor M3 (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor M4 (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor M5 (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to SERT (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to NET (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to DAT (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50539742 (CHEMBL4642292) Show SMILES Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12 Show InChI InChI=1S/C15H15BrN2/c1-9-14-12(6-7-17-9)11-5-4-10(16)8-13(11)18-15(14,2)3/h4-8,18H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to MOR (unknown origin)				J Nat Prod 83: 1092-1098 (2020) Article DOI: 10.1021/acs.jnatprod.9b01107 BindingDB Entry DOI: 10.7270/Q2KS6W2R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250839 (6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...) Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3| Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50000558 (CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Inhibition of ETA receptor in human SK-N-MC cells after 60 mins by scintillation counting				J Nat Prod 72: 2172-6 (2009) Article DOI: 10.1021/np900287e BindingDB Entry DOI: 10.7270/Q2MC910T
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50015490 (CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Inhibition of neuropeptide Y1 receptor in human SK-N-MC cells after 60 mins by scintillation counting				J Nat Prod 72: 2172-6 (2009) Article DOI: 10.1021/np900287e BindingDB Entry DOI: 10.7270/Q2MC910T
					More data for this Ligand-Target Pair

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