Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50016618   

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 2B (Homo sapiens (Human))	BDBM50171262 (1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol | ...) Show SMILES CCCCn1cc(CCN(C)C)c2c(O)cccc12 Show InChI InChI=1S/C16H24N2O/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)19/h6-8,12,19H,4-5,9-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171264 (CHEMBL197646 | US11427604, Compound (I-43) | US115...) Show SMILES CN(C)CCc1c[nH]c2cccc(F)c12 Show InChI InChI=1S/C12H15FN2/c1-15(2)7-6-9-8-14-11-5-3-4-10(13)12(9)11/h3-5,8,14H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171261 (3-(2-Dimethylamino-ethyl)-1-methyl-1H-indol-4-ol |...) Show SMILES CN(C)CCc1cn(C)c2cccc(O)c12 Show InChI InChI=1S/C13H18N2O/c1-14(2)8-7-10-9-15(3)11-5-4-6-12(16)13(10)11/h4-6,9,16H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171270 (3-(3-Dimethylamino-propyl)-1H-indol-4-ol | CHEMBL1...) Show SMILES CN(C)CCCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C13H18N2O/c1-15(2)8-4-5-10-9-14-11-6-3-7-12(16)13(10)11/h3,6-7,9,14,16H,4-5,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171260 (3-[2-(4-Methyl-piperazin-1-yl)-ethyl]-1H-indol-4-o...) Show SMILES CN1CCN(CCc2c[nH]c3cccc(O)c23)CC1 Show InChI InChI=1S/C15H21N3O/c1-17-7-9-18(10-8-17)6-5-12-11-16-13-3-2-4-14(19)15(12)13/h2-4,11,16,19H,5-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171263 (CHEMBL371753 | Phosphoric acid mono-[1-butyl-3-(2-...) Show SMILES CCCCn1cc(CCN(C)C)c2c(OP(O)(O)=O)cccc12 Show InChI InChI=1S/C16H25N2O4P/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)22-23(19,20)21/h6-8,12H,4-5,9-11H2,1-3H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171265 (3-(2-Pyrrolidin-1-yl-ethyl)-1H-indol-4-ol | CHEMBL...) Show SMILES Oc1cccc2[nH]cc(CCN3CCCC3)c12 Show InChI InChI=1S/C14H18N2O/c17-13-5-3-4-12-14(13)11(10-15-12)6-9-16-7-1-2-8-16/h3-5,10,15,17H,1-2,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171271 (3-(2-Dimethylamino-propyl)-1H-indol-4-ol | CHEMBL1...) Show SMILES CC(Cc1c[nH]c2cccc(O)c12)N(C)C Show InChI InChI=1S/C13H18N2O/c1-9(15(2)3)7-10-8-14-11-5-4-6-12(16)13(10)11/h4-6,8-9,14,16H,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171273 (3-Dimethylaminomethyl-1-methyl-1H-indol-4-ol | CHE...) Show SMILES CN(C)Cc1cn(C)c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-13(2)7-9-8-14(3)10-5-4-6-11(15)12(9)10/h4-6,8,15H,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171272 (3-Dimethylaminomethyl-1H-indol-4-ol | CHEMBL194588) Show SMILES CN(C)Cc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C11H14N2O/c1-13(2)7-8-6-12-9-4-3-5-10(14)11(8)9/h3-6,12,14H,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171266 (CHEMBL198123 | Phosphoric acid mono-[3-(2-dimethyl...) Show SMILES CN(C)CCc1cn(C)c2cccc(OP(O)(O)=O)c12 Show InChI InChI=1S/C13H19N2O4P/c1-14(2)8-7-10-9-15(3)11-5-4-6-12(13(10)11)19-20(16,17)18/h4-6,9H,7-8H2,1-3H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171267 (3-[2-(3,4-Dihydro-2H-quinolin-1-yl)-ethyl]-1H-indo...) Show SMILES Oc1cccc2[nH]cc(CCN3CCCc4ccccc34)c12 Show InChI InChI=1S/C19H20N2O/c22-18-9-3-7-16-19(18)15(13-20-16)10-12-21-11-4-6-14-5-1-2-8-17(14)21/h1-3,5,7-9,13,20,22H,4,6,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171259 (3-(2-Dimethylamino-ethyl)-1H-indol-6-ol | CHEMBL38...) Show SMILES CN(C)CCc1c[nH]c2cc(O)ccc12 Show InChI InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-7-10(15)3-4-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO				Bioorg Med Chem Lett 15: 4555-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.104 BindingDB Entry DOI: 10.7270/Q2PZ58B5
					More data for this Ligand-Target Pair