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SMILES: NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1

InChI Key: InChIKey=DDIYHVZHGLOJAJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50148831   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT2B (unknown origin) after 1.5 hrs by microbeta scintillation counting method				ACS Med Chem Lett 9: 1019-1024 (2018) Article DOI: 10.1021/acsmedchemlett.8b00300 BindingDB Entry DOI: 10.7270/Q2DZ0C0J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5-HT2B receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5-HT2C receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5-HT5A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	401	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5-HT7A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]GR127543 from 5-HT1D receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5-HT6 receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]GR127543 from 5-HT1B receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5-HT3 receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from 5-HT1E receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHO-K1 cells assessed as calcium flux after 60 mins by FLIPR assay				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Inhibition of human ERG channel by patch clamp assay				J Med Chem 59: 707-20 (2016) BindingDB Entry DOI: 10.7270/Q2D50PT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50148831 (CHEMBL3770342) Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1| Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Antagonist activity at 5HT2B (unknown origin) expressed in CHOK1 cells assessed as inhibition of agonist-induced effect preincubated for 60 mins at 3...				ACS Med Chem Lett 9: 1019-1024 (2018) Article DOI: 10.1021/acsmedchemlett.8b00300 BindingDB Entry DOI: 10.7270/Q2DZ0C0J
					More data for this Ligand-Target Pair