BDBM50148833 CHEMBL3770106

SMILES: CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1

InChI Key: InChIKey=IQDAWMWSGXPSNV-UHFFFAOYSA-N

Data: 11 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50148833   

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))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	7.20	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 2A (Homo sapiens (Human))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	174	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))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	457	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 7 (Homo sapiens (Human))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	472	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 1A (Homo sapiens (Human))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	714	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 2C (Homo sapiens (Human))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	851	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 6 (Homo sapiens (Human))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	3.59E+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 1D (Homo sapiens (Human))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	8.59E+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 1B (Homo sapiens (Human))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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))	BDBM50148833 (CHEMBL3770106) Show SMILES CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11| Show InChI InChI=1S/C17H23N5O2/c1-2-24-14(23)12-7-6-8-13(11-12)19-16-20-15(18)21-17(22-16)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H4,18,19,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	27	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