Compile Data Set for Download or QSAR

Found 934 hits with Last Name = 'shan' and Initial = 'y'   

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 2A (Homo sapiens (Human))	BDBM50324540 (CHEMBL1215661 | Pruvanserin) Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1 Show InChI InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324541 (1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyp...) Show SMILES COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C |(4.32,-10.34,;4.33,-11.88,;3,-12.66,;1.65,-11.89,;.32,-12.66,;.33,-14.2,;-1,-14.97,;-2.33,-14.2,;-2.34,-12.66,;-3.67,-14.97,;-5,-14.21,;-6.34,-14.98,;-7.67,-14.21,;-7.67,-12.66,;-9.01,-11.89,;-6.34,-11.89,;-5.01,-12.66,;-3.68,-11.88,;1.67,-14.97,;3,-14.2,;4.33,-14.97,;4.09,-16.48,;2.72,-17.18,;5.46,-17.18,;6.55,-16.08,;5.84,-14.71,;6.54,-13.34,)| Show InChI InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324551 ((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difl...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50324542 (2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...) Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Binding affinity to rat 5HT2A receptor				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324567 (2-[4-(4-Chloro-1-ethyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES CCn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H20ClFN4O2/c1-2-24-11-15(19)17(21-24)18(26)23-9-7-22(8-10-23)12-16(25)13-3-5-14(20)6-4-13/h3-6,11H,2,7-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Canis familiaris)	BDBM50324542 (2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...) Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Binding affinity to dog 5HT2A receptor				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50087826 (CHEMBL3426789) Show SMILES Cc1ccccc1COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:29,t:18| Show InChI InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Positive allosteric modulation of human delta opioid receptor expressed in CHO cell membranes assessed as TAN67 Ki at 10 uM after 90 mins by [3H]-dip...				J Med Chem 58: 4220-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00007 BindingDB Entry DOI: 10.7270/Q27P9149
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324545 ((4-Bromo-1-methyl-1Hpyrazol-3-yl)-{4-[2-(4-fluorop...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H20BrFN4O/c1-21-12-15(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324542 (2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...) Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324554 (2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18BrFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324570 (1-(4-Fluorophenyl)-2-[4-(4-iodo-1-methyl-1H-pyrazo...) Show SMILES Cn1cc(I)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18FIN4O2/c1-21-10-14(19)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324563 (2-[4-(4-Bromo-5-methyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES Cc1n[nH]c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br Show InChI InChI=1S/C17H18BrFN4O2/c1-11-15(18)16(21-20-11)17(25)23-8-6-22(7-9-23)10-14(24)12-2-4-13(19)5-3-12/h2-5H,6-10H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324562 (2-[4-(4-Bromo-1,5-dimethyl-1H-pyrazole-3-carbonyl)...) Show SMILES Cc1c(Br)c(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H20BrFN4O2/c1-12-16(19)17(21-22(12)2)18(26)24-9-7-23(8-10-24)11-15(25)13-3-5-14(20)6-4-13/h3-6H,7-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50087826 (CHEMBL3426789) Show SMILES Cc1ccccc1COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:29,t:18| Show InChI InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Positive allosteric modulation of human delta opioid receptor expressed in CHO cell membranes assessed as SNC80 Ki at 10 uM after 90 mins by [3H]-dip...				J Med Chem 58: 4220-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00007 BindingDB Entry DOI: 10.7270/Q27P9149
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50087826 (CHEMBL3426789) Show SMILES Cc1ccccc1COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:29,t:18| Show InChI InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Positive allosteric modulation of human delta opioid receptor expressed in CHO cell membranes assessed as leu-enkephalin Ki at 10 uM after 90 mins by...				J Med Chem 58: 4220-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00007 BindingDB Entry DOI: 10.7270/Q27P9149
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324565 (2-[4-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)piperazi...) Show SMILES Cc1cc(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H21FN4O2/c1-13-11-16(20-21(13)2)18(25)23-9-7-22(8-10-23)12-17(24)14-3-5-15(19)6-4-14/h3-6,11H,7-10,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324566 (2-[4-(1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl...) Show SMILES Cc1cc(nn1C(C)(C)C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H27FN4O2/c1-15-13-18(23-26(15)21(2,3)4)20(28)25-11-9-24(10-12-25)14-19(27)16-5-7-17(22)8-6-16/h5-8,13H,9-12,14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324571 (1-(4-Fluorophenyl)-2-[4-(5-methyl-2-phenyl-2H-pyra...) Show SMILES Cc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H23FN4O2/c1-17-15-21(25-28(17)20-5-3-2-4-6-20)23(30)27-13-11-26(12-14-27)16-22(29)18-7-9-19(24)10-8-18/h2-10,15H,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50540526 (CHEMBL4637658) Show SMILES Clc1cccc(NC(=O)C2CCN(CC2)C(=O)c2ccc3ccccc3c2)c1 Show InChI InChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant MAGL at 31.25 nM to 125 nM pre-incubated for 5 mins before MAGL substrate addition and further incubated ...				J Med Chem 63: 5783-5796 (2020) Article DOI: 10.1021/acs.jmedchem.9b02137 BindingDB Entry DOI: 10.7270/Q2GQ7288
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324547 ((4-Bromo-1-methyl-1Hpyrazol-3-yl)-{4-[2-(2-fluorop...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccccc2F)CC1 Show InChI InChI=1S/C17H20BrFN4O/c1-21-12-14(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-4-2-3-5-15(13)19/h2-5,12H,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324568 (2-[4-(4-Chloro-1H-pyrazole-3-carbonyl)piperazin-1-...) Show SMILES Fc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1[nH]ncc1Cl Show InChI InChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324569 (1-(4-Fluorophenyl)-2-[4-(1-methyl-5-trifluoromethy...) Show SMILES Cn1cc(c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1)C(F)(F)F Show InChI InChI=1S/C18H18F4N4O2/c1-24-10-14(18(20,21)22)16(23-24)17(28)26-8-6-25(7-9-26)11-15(27)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324549 ((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-chloro...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C17H20BrClN4O/c1-21-12-15(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324564 (1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-ca...) Show SMILES Cc1cc([nH]n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H19FN4O2/c1-12-10-15(20-19-12)17(24)22-8-6-21(7-9-22)11-16(23)13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324561 (1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-ca...) Show SMILES Cn1ccc(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H19FN4O2/c1-20-7-6-15(19-20)17(24)22-10-8-21(9-11-22)12-16(23)13-2-4-14(18)5-3-13/h2-7H,8-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst...				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324546 ((4-Bromo-1-methyl-1H-pyrazol-3-yl)-(4-phenethylpip...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C17H21BrN4O/c1-20-13-15(18)16(19-20)17(23)22-11-9-21(10-12-22)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324555 (2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2F)CC1 Show InChI InChI=1S/C17H17BrF2N4O2/c1-22-9-13(18)16(21-22)17(26)24-6-4-23(5-7-24)10-15(25)12-3-2-11(19)8-14(12)20/h2-3,8-9H,4-7,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324544 (CHEMBL1215726 | N-(4-Bromo-1H-pyrazol-3-yl)-4-(4-f...) Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)Nc2[nH]ncc2Br)cc1 Show InChI InChI=1S/C16H19BrFN5O/c17-14-11-19-21-15(14)20-16(24)23-9-7-22(8-10-23)6-5-12-1-3-13(18)4-2-12/h1-4,11H,5-10H2,(H2,19,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324541 (1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyp...) Show SMILES COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C |(4.32,-10.34,;4.33,-11.88,;3,-12.66,;1.65,-11.89,;.32,-12.66,;.33,-14.2,;-1,-14.97,;-2.33,-14.2,;-2.34,-12.66,;-3.67,-14.97,;-5,-14.21,;-6.34,-14.98,;-7.67,-14.21,;-7.67,-12.66,;-9.01,-11.89,;-6.34,-11.89,;-5.01,-12.66,;-3.68,-11.88,;1.67,-14.97,;3,-14.2,;4.33,-14.97,;4.09,-16.48,;2.72,-17.18,;5.46,-17.18,;6.55,-16.08,;5.84,-14.71,;6.54,-13.34,)| Show InChI InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324543 (CHEMBL1215725 | N-[3-(4-Chloro-1-methyl-1H-pyrazol...) Show SMILES COc1ccc(NC(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1-c1c(Cl)cnn1C |(-7.16,5.97,;-7.15,4.43,;-5.82,3.66,;-4.5,4.43,;-3.16,3.67,;-3.15,2.12,;-1.82,1.35,;-.48,2.12,;-.49,3.66,;.85,1.35,;2.17,2.13,;3.51,1.35,;3.51,-.19,;4.84,-.96,;6.17,-.19,;7.5,-.97,;8.82,-.21,;10.15,-.97,;10.15,-2.52,;11.48,-3.29,;8.82,-3.29,;7.49,-2.51,;2.17,-.96,;.84,-.19,;-4.49,1.35,;-5.82,2.12,;-7.16,1.35,;-7.09,-.18,;-5.81,-1.03,;-8.54,-.72,;-9.49,.49,;-8.64,1.77,;-9.17,3.22,)| Show InChI InChI=1S/C24H27ClFN5O2/c1-29-23(21(25)16-27-29)20-15-19(7-8-22(20)33-2)28-24(32)31-13-11-30(12-14-31)10-9-17-3-5-18(26)6-4-17/h3-8,15-16H,9-14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324556 (2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccccc2F)CC1 Show InChI InChI=1S/C17H18BrFN4O2/c1-21-10-13(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-4-2-3-5-14(12)19/h2-5,10H,6-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50396981 (CHEMBL2171174) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DOT1L (1 to 472 amino acid residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM assessed as ...				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324559 ((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-fluoro...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H20BrFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10,15,24H,6-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324550 ((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methox...) Show SMILES COc1ccc(CCN2CCN(CC2)C(=O)c2nn(C)cc2Br)cc1 Show InChI InChI=1S/C18H23BrN4O2/c1-21-13-16(19)17(20-21)18(24)23-11-9-22(10-12-23)8-7-14-3-5-15(25-2)6-4-14/h3-6,13H,7-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324548 ((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(3-fluoro...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2cccc(F)c2)CC1 Show InChI InChI=1S/C17H20BrFN4O/c1-21-12-15(18)16(20-21)17(24)23-9-7-22(8-10-23)6-5-13-3-2-4-14(19)11-13/h2-4,11-12H,5-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324540 (CHEMBL1215661 | Pruvanserin) Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1 Show InChI InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	645	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human NNMT measured for 30 mins by SAHH-coupled fluorescence assay				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324557 (2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C18H18BrF3N4O2/c1-24-10-14(19)16(23-24)17(28)26-8-6-25(7-9-26)11-15(27)12-2-4-13(5-3-12)18(20,21)22/h2-5,10H,6-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	865	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of DNMT1 (unknown origin) using [3H]-SAM assessed as inhibition of dsDNA methylation after 1 hr by scintillation proximity assay				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PRMT5 (unknown origin) using [3H]SAM after 1 hr by scintillation proximity assay				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S] (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PRMT3 (unknown origin) using [3H]SAM assessed as inhibition of biotinylated-H4 (1 to 24 amino acid residues) methylation after 1 hr by ...				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324542 (2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...) Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324561 (1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-ca...) Show SMILES Cn1ccc(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H19FN4O2/c1-20-7-6-15(19-20)17(24)22-10-8-21(9-11-22)12-16(23)13-2-4-14(18)5-3-13/h2-7H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324554 (2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18BrFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324560 (2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES CO\N=C(\CN1CCN(CC1)C(=O)c1nn(C)cc1Br)c1ccc(F)cc1 Show InChI InChI=1S/C18H21BrFN5O2/c1-23-11-15(19)17(21-23)18(26)25-9-7-24(8-10-25)12-16(22-27-2)13-3-5-14(20)6-4-13/h3-6,11H,7-10,12H2,1-2H3/b22-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324568 (2-[4-(4-Chloro-1H-pyrazole-3-carbonyl)piperazin-1-...) Show SMILES Fc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1[nH]ncc1Cl Show InChI InChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324551 ((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difl...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324562 (2-[4-(4-Bromo-1,5-dimethyl-1H-pyrazole-3-carbonyl)...) Show SMILES Cc1c(Br)c(nn1C)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H20BrFN4O2/c1-12-16(19)17(21-22(12)2)18(26)24-9-7-23(8-10-24)11-15(25)13-3-5-14(20)6-4-13/h3-6H,7-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50324563 (2-[4-(4-Bromo-5-methyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES Cc1n[nH]c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br Show InChI InChI=1S/C17H18BrFN4O2/c1-11-15(18)16(21-20-11)17(25)23-8-6-22(7-9-23)10-14(24)12-2-4-13(19)5-3-12/h2-5H,6-10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair

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