Compile Data Set for Download or QSAR

Found 14550 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14'   

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
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM82087 (2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...) Show SMILES COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.503	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50307812 (1-[3-(4-Bromo-2-methyl-2Hpyrazol-3-yl)-4-methoxyph...) Show SMILES COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C Show InChI InChI=1S/C18H16BrClN4O2/c1-24-17(15(19)10-21-24)14-9-13(7-8-16(14)26-2)23-18(25)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H2,22,23,25)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc Curated by ChEMBL					Assay Description Activity at human 5HT2A receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation counting				J Med Chem 53: 1923-36 (2010) Article DOI: 10.1021/jm9007328 BindingDB Entry DOI: 10.7270/Q24B31FP
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50403163 (OXITRIPTAN) Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay				J Med Chem 59: 578-91 (2016) Article DOI: 10.1021/acs.jmedchem.5b01153 BindingDB Entry DOI: 10.7270/Q28C9Z4P
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (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	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50403163 (OXITRIPTAN) Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay				J Med Chem 59: 578-91 (2016) Article DOI: 10.1021/acs.jmedchem.5b01153 BindingDB Entry DOI: 10.7270/Q28C9Z4P
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM20652 (N-[(2S)-butan-2-yl]-4-{[5-(methoxycarbamoyl)-2-met...) Show SMILES CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C Show InChI InChI=1/C21H26N6O3/c1-6-13(3)24-21(29)16-10-27-18(14(16)4)19(22-11-23-27)25-17-9-15(8-7-12(17)2)20(28)26-30-5/h7-11,13H,6H2,1-5H3,(H,24,29)(H,26,28)(H,22,23,25)/t13-/s2	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	<2	n/a	n/a	7.5	22
Novartis Pharmaceuticals					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 51: 4-16 (2008) Article DOI: 10.1021/jm7009414 BindingDB Entry DOI: 10.7270/Q23T9FHB
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (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	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (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	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM20656 (4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...) Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccn4)c(C)c23)c1 Show InChI InChI=1S/C23H23N7O3/c1-14-7-8-16(22(31)29-33-3)10-19(14)28-21-20-15(2)18(12-30(20)27-13-26-21)23(32)25-11-17-6-4-5-9-24-17/h4-10,12-13H,11H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	2.40	n/a	n/a	7.5	22
Novartis Pharmaceuticals					Assay Description The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...				J Med Chem 51: 4-16 (2008) Article DOI: 10.1021/jm7009414 BindingDB Entry DOI: 10.7270/Q23T9FHB
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) Show SMILES NCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (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	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by flu...				J Med Chem 56: 1211-27 (2013) Article DOI: 10.1021/jm301656h BindingDB Entry DOI: 10.7270/Q2ZP47GW
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50334405 (10-[3-(4-Fluoro-phenoxy)-azetidin-1-yl]-6,7,8,9-te...) Show SMILES Fc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1 Show InChI InChI=1S/C19H20FN5O/c20-13-1-3-14(4-2-13)26-15-11-24(12-15)19-16-5-8-21-9-6-17(16)23-18-7-10-22-25(18)19/h1-4,7,10,15,21H,5-6,8-9,11-12H2	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant 5HT2A receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay				Bioorg Med Chem Lett 21: 34-7 (2010) Article DOI: 10.1016/j.bmcl.2010.11.089 BindingDB Entry DOI: 10.7270/Q2CR5TMH
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50331286 (2-(5-chloro-1H-indol-3-yl)ethanamine | 5-Cl-T | CH...) Show SMILES NCCc1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50241050 (2-(6-fluoro-1H-indol-3-yl)ethanamine | 6-fluorotry...) Show SMILES NCCc1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50097677 (CHEMBL3589582) Show SMILES COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br Show InChI InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60	n/a	n/a	n/a	25
University of Copenhagen Curated by ChEMBL					Assay Description Partial agonist activity at human 5-HT2A receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at roo...				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50331288 (2-(5-bromo-1H-indol-3-yl)ethanamine | 5-Br-T | CHE...) Show SMILES NCCc1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (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	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50073691 (2-(5-Methyl-1H-indol-3-yl)-ethylamine | 5-Methyl-t...) Show SMILES Cc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	25
University of Copenhagen Curated by ChEMBL					Assay Description Partial agonist activity at human 5-HT2A receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at roo...				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50025221 (CHEMBL1906905) Show SMILES CC(N)Cc1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1/C11H13ClN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50238071 (CHEMBL4079857) Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1 Show InChI InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)25-16-6-7-22-19-11-24-26(3)20(16)19/h4-11H,1-3H3,(H,22,23,25)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
Takeda California Inc Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM36476 ((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...) Show SMILES CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12 Show InChI InChI=1S/C34H34N8O5/c1-34(2)46-18-23-15-20(10-13-28(23)47-34)16-25(29(43)35-3)37-31-38-32(40-33(45)39-31)42-19-36-24-12-11-22(17-27(24)42)30(44)41-14-6-8-21-7-4-5-9-26(21)41/h4-5,7,9-13,15,17,19,25H,6,8,14,16,18H2,1-3H3,(H,35,43)(H2,37,38,39,40,45)/t25-/m0/s1	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<7	n/a	n/a	9.5	16
Praecis Pharmaceuticals					Assay Description Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...				Nat Chem Biol 5: 647-54 (2009) Article DOI: 10.1038/nchembio.211 BindingDB Entry DOI: 10.7270/Q2MP51NX
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50024210 (1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...) Show SMILES NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (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	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux measured every sec for 3 mins by FLIPR assay				ACS Med Chem Lett 2: 929-932 (2011) Article DOI: 10.1021/ml200206z BindingDB Entry DOI: 10.7270/Q2959JKS
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50238072 (CHEMBL4104104) Show SMILES CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 Show InChI InChI=1S/C21H20FN5/c1-4-27-21-17(7-8-23-20(21)12-25-27)26-18-10-19(24-11-14(18)3)15-9-13(2)5-6-16(15)22/h5-12H,4H2,1-3H3,(H,23,24,26)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Takeda California Inc Curated by ChEMBL					Assay Description Binding affinity against cytidine deaminase of mouse kidney				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50238082 (CHEMBL4102696) Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F Show InChI InChI=1S/C18H13F2N5/c1-10-8-22-16(12-6-11(19)2-3-13(12)20)7-15(10)24-14-4-5-21-17-9-23-25-18(14)17/h2-9H,1H3,(H,23,25)(H,21,22,24)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Takeda California Inc Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50238084 (CHEMBL4085333) Show SMILES CC(O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12 Show InChI InChI=1/C21H19F2N5O/c1-12-9-25-19(15-7-14(22)3-4-16(15)23)8-18(12)27-17-5-6-24-20-10-26-28(21(17)20)11-13(2)29/h3-10,13,29H,11H2,1-2H3,(H,24,25,27)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Takeda California Inc Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM36474 ((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...) Show SMILES CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12 Show InChI InChI=1S/C36H38N8O5/c1-5-47-35-41-33(39-27(31(45)37-4)18-22-12-15-30-25(17-22)20-48-36(2,3)49-30)40-34(42-35)44-21-38-26-14-13-24(19-29(26)44)32(46)43-16-8-10-23-9-6-7-11-28(23)43/h6-7,9,11-15,17,19,21,27H,5,8,10,16,18,20H2,1-4H3,(H,37,45)(H,39,40,41,42)/t27-/m0/s1	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<8	n/a	n/a	9.5	16
Praecis Pharmaceuticals					Assay Description Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...				Nat Chem Biol 5: 647-54 (2009) Article DOI: 10.1038/nchembio.211 BindingDB Entry DOI: 10.7270/Q2MP51NX
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50025197 (CHEMBL96816) Show SMILES CC(N)Cc1c[nH]c2ccc(F)cc12 Show InChI InChI=1/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.5	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM50025223 (CHEMBL343529) Show SMILES COc1cccc2[nH]cc(CCN)c12 Show InChI InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5-6,12H2,1H3	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay				Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346279 (US10202377, Compound 55) Show SMILES Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccccc1F Show InChI InChI=1S/C24H16FN7/c25-18-6-2-1-4-15(18)16-5-3-7-19-22(16)30-24(29-19)23-17-9-20(28-12-21(17)31-32-23)13-8-14(26)11-27-10-13/h1-12H,26H2,(H,29,30)(H,31,32)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346283 (US10202377, Compound 82) Show SMILES c1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1 Show InChI InChI=1S/C23H15N7/c1-6-16(14-4-2-8-24-11-14)21-18(7-1)27-23(28-21)22-17-10-19(15-5-3-9-25-12-15)26-13-20(17)29-30-22/h1-13H,(H,27,28)(H,29,30)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346285 (US10202377, Compound 90) Show SMILES CC(C)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1 Show InChI InChI=1S/C26H22N8/c1-15(2)30-18-9-17(12-28-13-18)22-10-20-23(14-29-22)33-34-25(20)26-31-21-7-3-6-19(24(21)32-26)16-5-4-8-27-11-16/h3-15,30H,1-2H3,(H,31,32)(H,33,34)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346286 (US10202377, Compound 93) Show SMILES C(N1CCCCC1)c1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1 Show InChI InChI=1S/C29H26N8/c1-2-10-37(11-3-1)18-19-12-21(16-31-14-19)25-13-23-26(17-32-25)35-36-28(23)29-33-24-8-4-7-22(27(24)34-29)20-6-5-9-30-15-20/h4-9,12-17H,1-3,10-11,18H2,(H,33,34)(H,35,36)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346287 (US10202377, Compound 101) Show SMILES C(NCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1)c1ccccc1 Show InChI InChI=1S/C31H24N8/c1-2-6-20(7-3-1)14-33-15-21-12-23(18-34-16-21)27-13-25-28(19-35-27)38-39-30(25)31-36-26-10-4-9-24(29(26)37-31)22-8-5-11-32-17-22/h1-13,16-19,33H,14-15H2,(H,36,37)(H,38,39)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346294 (US10202377, Compound 154) Show SMILES C(NCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccccn1)C1CCCC1 Show InChI InChI=1S/C30H28N8/c1-2-7-19(6-1)14-31-15-20-12-21(17-32-16-20)26-13-23-27(18-34-26)37-38-29(23)30-35-25-10-5-8-22(28(25)36-30)24-9-3-4-11-33-24/h3-5,8-13,16-19,31H,1-2,6-7,14-15H2,(H,35,36)(H,37,38)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346383 (US10202377, Compound 1350) Show SMILES CC(C)CC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cc(O)cc(F)c1 Show InChI InChI=1S/C29H24FN7O2/c1-15(2)6-26(39)33-19-8-17(12-31-13-19)24-11-22-25(14-32-24)36-37-28(22)29-34-23-5-3-4-21(27(23)35-29)16-7-18(30)10-20(38)9-16/h3-5,7-15,38H,6H2,1-2H3,(H,33,39)(H,34,35)(H,36,37)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346296 (US10202377, Compound 169) Show SMILES CN(C)Cc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)N1CCCCC1 Show InChI InChI=1S/C26H28N8/c1-33(2)16-17-11-18(14-27-13-17)21-12-19-22(15-28-21)31-32-24(19)26-29-20-7-6-8-23(25(20)30-26)34-9-4-3-5-10-34/h6-8,11-15H,3-5,9-10,16H2,1-2H3,(H,29,30)(H,31,32)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346298 (US10202377, Compound 181) Show SMILES FC1(F)CCN(Cc2cncc(c2)-c2cc3c(n[nH]c3cn2)-c2nc3c(cccc3[nH]2)N2CCCCC2)C1 Show InChI InChI=1S/C28H28F2N8/c29-28(30)7-10-37(17-28)16-18-11-19(14-31-13-18)22-12-20-23(15-32-22)35-36-25(20)27-33-21-5-4-6-24(26(21)34-27)38-8-2-1-3-9-38/h4-6,11-15H,1-3,7-10,16-17H2,(H,33,34)(H,35,36)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346300 (US10202377, Compound 190) Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(NC(=O)C(C)(C)C)c1 Show InChI InChI=1S/C27H25N9O/c1-15-13-36(14-30-15)22-7-5-6-19-24(22)33-25(32-19)23-18-9-20(29-12-21(18)34-35-23)16-8-17(11-28-10-16)31-26(37)27(2,3)4/h5-14H,1-4H3,(H,31,37)(H,32,33)(H,34,35)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346301 (US10202377, Compound 196) Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(CN2CCCC2)c1 Show InChI InChI=1S/C27H25N9/c1-17-14-36(16-30-17)24-6-4-5-21-26(24)32-27(31-21)25-20-10-22(29-13-23(20)33-34-25)19-9-18(11-28-12-19)15-35-7-2-3-8-35/h4-6,9-14,16H,2-3,7-8,15H2,1H3,(H,31,32)(H,33,34)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346302 (US10202377, Compound 202) Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(NC(=O)C2CCC2)c1 Show InChI InChI=1S/C27H23N9O/c1-15-13-36(14-30-15)23-7-3-6-20-25(23)33-26(32-20)24-19-9-21(29-12-22(19)34-35-24)17-8-18(11-28-10-17)31-27(37)16-4-2-5-16/h3,6-14,16H,2,4-5H2,1H3,(H,31,37)(H,32,33)(H,34,35)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346308 (US10202377, Compound 234) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncnc1 Show InChI InChI=1S/C22H21N9/c1-30-5-7-31(8-6-30)19-4-2-3-16-21(19)27-22(26-16)20-15-9-17(14-10-23-13-24-11-14)25-12-18(15)28-29-20/h2-4,9-13H,5-8H2,1H3,(H,26,27)(H,28,29)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346313 (US10202377, Compound 265) Show SMILES Cc1ccncc1-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1 Show InChI InChI=1S/C23H16N6S/c1-13-5-7-24-10-17(13)19-9-16-20(11-25-19)28-29-22(16)23-26-18-4-2-3-15(21(18)27-23)14-6-8-30-12-14/h2-12H,1H3,(H,26,27)(H,28,29)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346314 (US10202377, Compound 268) Show SMILES CC(C)(C)C(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1 Show InChI InChI=1S/C27H23N7OS/c1-27(2,3)26(35)30-17-9-16(11-28-12-17)21-10-19-22(13-29-21)33-34-24(19)25-31-20-6-4-5-18(23(20)32-25)15-7-8-36-14-15/h4-14H,1-3H3,(H,30,35)(H,31,32)(H,33,34)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346316 (US10202377, Compound 271) Show SMILES O=C(Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1)c1ccccc1 Show InChI InChI=1S/C29H19N7OS/c37-29(17-5-2-1-3-6-17)32-20-11-19(13-30-14-20)24-12-22-25(15-31-24)35-36-27(22)28-33-23-8-4-7-21(26(23)34-28)18-9-10-38-16-18/h1-16H,(H,32,37)(H,33,34)(H,35,36)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346317 (US10202377, Compound 277) Show SMILES CCCC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1 Show InChI InChI=1S/C26H21N7OS/c1-2-4-23(34)29-17-9-16(11-27-12-17)21-10-19-22(13-28-21)32-33-25(19)26-30-20-6-3-5-18(24(20)31-26)15-7-8-35-14-15/h3,5-14H,2,4H2,1H3,(H,29,34)(H,30,31)(H,32,33)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346319 (US10202377, Compound 283) Show SMILES C(NCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1)c1ccccc1 Show InChI InChI=1S/C30H23N7S/c1-2-5-19(6-3-1)13-31-14-20-11-22(16-32-15-20)26-12-24-27(17-33-26)36-37-29(24)30-34-25-8-4-7-23(28(25)35-30)21-9-10-38-18-21/h1-12,15-18,31H,13-14H2,(H,34,35)(H,36,37)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346320 (US10202377, Compound 288) Show SMILES CC(C)CC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccoc1 Show InChI InChI=1S/C27H23N7O2/c1-15(2)8-24(35)30-18-9-17(11-28-12-18)22-10-20-23(13-29-22)33-34-26(20)27-31-21-5-3-4-19(25(21)32-27)16-6-7-36-14-16/h3-7,9-15H,8H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor (Homo sapiens (Human))	BDBM346321 (US10202377, Compound 292) Show SMILES CCNCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccoc1 Show InChI InChI=1S/C25H21N7O/c1-2-26-10-15-8-17(12-27-11-15)21-9-19-22(13-28-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)16-6-7-33-14-16/h3-9,11-14,26H,2,10H2,1H3,(H,29,30)(H,31,32)	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) Article DOI: 10.1021/jm030121k BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair

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